Khurshid Ahmad

@yu.ac.kr

Assistant Professor, Department of Medical Biotechnology
Yeungnam University



                          

https://researchid.co/ahmad11

EDUCATION

Ph.D. (Bioinformatics)

RESEARCH INTERESTS

Bioinformatics, Skeletal muscle, extracellular matrix

90

Scopus Publications

3696

Scholar Citations

32

Scholar h-index

66

Scholar i10-index

Scopus Publications

  • Artificial General Intelligence for the Detection of Neurodegenerative Disorders
    Yazdan Ahmad Qadri, Khurshid Ahmad, and Sung Won Kim

    MDPI AG
    Parkinson’s disease and Alzheimer’s disease are among the most common neurodegenerative disorders. These diseases are correlated with advancing age and are hence increasingly becoming prevalent in developed countries due to an increasingly aging demographic. Several tools are used to predict and diagnose these diseases, including pathological and genetic tests, radiological scans, and clinical examinations. Artificial intelligence is evolving to artificial general intelligence, which mimics the human learning process. Large language models can use an enormous volume of online and offline resources to gain knowledge and use it to perform different types of tasks. This work presents an understanding of two major neurodegenerative disorders, artificial general intelligence, and the efficacy of using artificial general intelligence in detecting and predicting these neurodegenerative disorders. A detailed discussion on detecting these neurodegenerative diseases using artificial general intelligence by analyzing diagnostic data is presented. An Internet of Things-based ubiquitous monitoring and treatment framework is presented. An outline for future research opportunities based on the challenges in this area is also presented.

  • Molecular Landscape of Bladder Cancer: Key Genes, Transcription Factors, and Drug Interactions
    Danishuddin, Md Azizul Haque, Shawez Khan, Jong-Joo Kim, and Khurshid Ahmad

    MDPI AG
    Bladder cancer is among the most prevalent tumors in the urinary system and is known for its high malignancy. Although traditional diagnostic and treatment methods are established, recent research has focused on understanding the molecular mechanisms underlying bladder cancer. The primary objective of this study is to identify novel diagnostic markers and discover more effective targeted therapies for bladder cancer. This study identified differentially expressed genes (DEGs) between bladder cancer tissues and adjacent normal tissues using data from The Cancer Genome Atlas (TCGA). Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses were conducted to explore the functional roles of these genes. A protein–protein interaction (PPI) network was also constructed to identify and analyze hub genes within this network. Gene set variation analysis (GSVA) was conducted to investigate the involvement of these genes in various biological processes and pathways. Ten key genes were found to be significantly associated with bladder cancer: IL6, CCNA2, CCNB1, CDK1, PLK1, TOP2A, AURKA, AURKB, FOXM1, and CALML5. GSVA analyses revealed that these genes are involved in a variety of biological processes and signaling pathways, including coagulation, UV-response-down, apoptosis, Notch signaling, and Wnt/beta-catenin signaling. The diagnostic relevance of these genes was validated through ROC curve analysis. Additionally, potential therapeutic drug interactions with these key genes were identified. This study provides valuable insights into key genes and their roles in bladder cancer. The identified genes and their interactions with therapeutic drugs could serve as potential biomarkers, presenting new opportunities for enhancing the diagnosis and prognosis of bladder cancer.

  • Effect of Glycyrrhiza uralensis crude water extract on the expression of Nitric Oxide Synthase 2 gene during myogenesis
    Afsha Fatima Qadri, Sibhghatulla Shaikh, Ye Chan Hwang, Khurshid Ahmad, Inho Choi, and Eun Ju Lee

    Elsevier BV

  • Therapeutic applications of biological macromolecules and scaffolds for skeletal muscle regeneration: A review
    Syed Sayeed Ahmad, Khurshid Ahmad, Jeong Ho Lim, Sibhghatulla Shaikh, Eun Ju Lee, and Inho Choi

    Elsevier BV

  • Licochalcone A and B enhance muscle proliferation and differentiation by regulating Myostatin
    Khurshid Ahmad, Eun Ju Lee, Shahid Ali, Ki Soo Han, Sun Jin Hur, Jeong Ho Lim, and Inho Choi

    Elsevier BV

  • Editorial: Research and developments in cultured meat production
    Shahid Ali, Abdul Rahaman, Omnia Badra, Khurshid Ahmad, and Inho Choi

    Frontiers Media SA

  • Therapeutic potential and action mechanisms of licochalcone B: a mini review
    Sibhghatulla Shaikh, Eun Ju Lee, Khurshid Ahmad, and Inho Choi

    Frontiers Media SA
    Licochalcone B (LicB), a chalcone derived from Glycyrrhiza uralensis and Glycyrrhiza glabra, has received considerable attention due to its diverse pharmacological properties. Accumulated data indicates that LicB has pharmacological effects that include anti-cancer, hepatoprotective, anti-inflammatory, and neuroprotective properties. The action mechanism of LicB has been linked to several molecular targets, such as phosphoinositide 3-kinase/Akt/mammalian target of rapamycin, p53, nuclear factor-κB, and p38, and the involvements of caspases, apoptosis, mitogen-activated protein kinase-associated inflammatory pathways, and anti-inflammatory nuclear factor erythroid 2–related factor 2 signaling pathways highlight the multifaceted therapeutic potential of LicB. This review systematically updates recent findings regarding the pharmacological effects of LicB, and the mechanistic pathways involved, and highlights the potential use of LicB as a promising lead compound for drug discovery.

  • Editorial: Computational drug discovery of medicinal compounds for cancer management, volume II
    Khurshid Ahmad, Sibhghatulla Shaikh, Faez Iqbal Khan, and Mohammad Ehtisham Khan

    Frontiers Media SA

  • Targeting myostatin using quercetin as a media supplement to improve myogenesis for cultured meat production: An in silico and in vitro study
    Syed Sayeed Ahmad, Jeong Ho Lim, Khurshid Ahmad, Hee Jin Chun, Sun Jin Hur, Eun Ju Lee, and Inho Choi

    Elsevier BV

  • Therapeutic applications of ginseng for skeletal muscle-related disorder management
    Syed Sayeed Ahmad, Hee Jin Chun, Khurshid Ahmad, and Inho Choi

    Elsevier BV

  • Mss51 protein inhibition serves as a novel target for type 2 diabetes: a molecular docking and simulation study
    Shahid Ali, Khurshid Ahmad, Sibhghatulla Shaikh, Hee Jin Chun, Inho Choi, and Eun Ju Lee

    Informa UK Limited
    Myostatin is a widely recognized inhibitory factor of skeletal muscle growth and significantly influences muscle development and metabolism. In mice, myostatin inhibition improves insulin sensitivity, increases glucose uptake by skeletal muscle, and reduces body fat. Furthermore, Mss51 is downregulated in response to myostatin inhibition, and its deletion appears to improve the metabolic state of skeletal muscle and reduce adipose tissue, which makes Mss51 a potential target for the treatment of obesity and type 2 diabetes. Here, we report a computationally predicted and validated three-dimensional structure of Mss51. Computational screening was used to identify naturally occurring compounds from the Herbal and Specs chemical database that might inhibit Mss51, based on binding affinities and physiochemical and ADMET properties. ZINC00338371, ZINC95099599 and ZINC08214878 were found to bind to Mss51 with high binding affinity and specificity. In addition, 100 ns molecular dynamics simulations were conducted to assess the stabilities of the interactions between the three compounds and Mss51. MD simulation demonstrated that all three compounds bind to the active pocket site of Mss51 stably and cause conformation changes. ZINC00338371 was found to bind most stably with binding free energy -229.022 ± 13.776 kJ/mol to Mss51, suggesting that it has therapeutic potential as a treatment option for obesity and type 2 diabetes.Communicated by Ramaswamy H. Sarma.

  • Therapeutic Applications of Ginseng Natural Compounds for Health Management
    Syed Sayeed Ahmad, Khurshid Ahmad, Ye Chan Hwang, Eun Ju Lee, and Inho Choi

    MDPI AG
    Ginseng is usually consumed as a daily food supplement to improve health and has been shown to benefit skeletal muscle, improve glucose metabolism, and ameliorate muscle-wasting conditions, cardiovascular diseases, stroke, and the effects of aging and cancers. Ginseng has also been reported to help maintain bone strength and liver (digestion, metabolism, detoxification, and protein synthesis) and kidney functions. In addition, ginseng is often used to treat age-associated neurodegenerative disorders, and ginseng and ginseng-derived natural products are popular natural remedies for diseases such as diabetes, obesity, oxidative stress, and inflammation, as well as fungal, bacterial, and viral infections. Ginseng is a well-known herbal medication, known to alleviate the actions of several cytokines. The article concludes with future directions and significant application of ginseng compounds for researchers in understanding the promising role of ginseng in the treatment of several diseases. Overall, this study was undertaken to highlight the broad-spectrum therapeutic applications of ginseng compounds for health management.

  • Extracellular matrix: the critical contributor to skeletal muscle regeneration—a comprehensive review
    Khurshid Ahmad, Sibhghatulla Shaikh, Hee Jin Chun, Shahid Ali, Jeong Ho Lim, Syed Sayeed Ahmad, Eun Ju Lee, and Inho Choi

    Springer Science and Business Media LLC
    AbstractThe regenerative ability of skeletal muscle (SM) in response to damage, injury, or disease is a highly intricate process that involves the coordinated activities of multiple cell types and biomolecular factors. Of these, extracellular matrix (ECM) is considered a fundamental component of SM regenerative ability. This review briefly discusses SM myogenesis and regeneration, the roles played by muscle satellite cells (MSCs), other cells, and ECM components, and the effects of their dysregulations on these processes. In addition, we review the various types of ECM scaffolds and biomaterials used for SM regeneration, their applications, recent advances in ECM scaffold research, and their impacts on tissue engineering and SM regeneration, especially in the context of severe muscle injury, which frequently results in substantial muscle loss and impaired regenerative capacity. This review was undertaken to provide a comprehensive overview of SM myogenesis and regeneration, the stem cells used for muscle regeneration, the significance of ECM in SM regeneration, and to enhance understanding of the essential role of the ECM scaffold during SM regeneration.

  • Therapeutic application of natural compounds for skeletal muscle-associated metabolic disorders: A review on diabetes perspective
    Khurshid Ahmad, Sibhghatulla Shaikh, Jeong Ho Lim, Syed Sayeed Ahmad, Hee Jin Chun, Eun Ju Lee, and Inho Choi

    Elsevier BV

  • Virtual Insights into Natural Compounds as Potential 5α-Reductase Type II Inhibitors: A Structure-Based Screening and Molecular Dynamics Simulation Study
    Sibhghatulla Shaikh, Shahid Ali, Jeong Ho Lim, Khurshid Ahmad, Ki Soo Han, Eun Ju Lee, and Inho Choi

    MDPI AG
    Androgenic alopecia (AGA) is a dermatological disease with psychosocial consequences for those who experience hair loss. AGA is linked to an increase in androgen levels caused by an excess of dihydrotestosterone in blood capillaries produced from testosterone by 5α-reductase type II (5αR2), which is expressed in scalp hair follicles; 5αR2 activity and dihydrotestosterone levels are elevated in balding scalps. The diverse health benefits of flavonoids have been widely reported in epidemiological studies, and research interest continues to increase. In this study, a virtual screening approach was used to identify compounds that interact with active site residues of 5αR2 by screening a library containing 241 flavonoid compounds. Here, we report two potent flavonoid compounds, eriocitrin and silymarin, that interacted strongly with 5αR2, with binding energies of −12.1 and −11.7 kcal/mol, respectively, which were more significant than those of the control, finasteride (−11.2 kcal/mol). Molecular dynamic simulations (200 ns) were used to optimize the interactions between compounds and 5αR2 and revealed that the interaction of eriocitrin and silymarin with 5αR2 was stable. The study shows that eriocitrin and silymarin provide developmental bases for novel 5αR2 inhibitors for the management of AGA.

  • Potential of Natural Phenolic Compounds as Antimicrobial Agents against Multidrug-Resistant Staphylococcus aureus in Chicken Meat
    Alaa Eldin M. A. Morshdy, Karima M. E. Abdallah, Heba E. Abdallah, Fahad D. Algahtani, Mohamed Tharwat Elabbasy, Suleman Atique, Khursheed Ahmad, Mohammad A. A. Al-Najjar, Hossam M. Abdallah, and Abdallah Fikry A. Mahmoud

    MDPI AG
    Staphylococcus aureus is one of the most widespread foodborne bacteria that cause high morbidity, mortality, and economic loss, primarily if foodborne diseases are caused by pathogenic and multidrug-resistant (MDR) strains. This study aimed to determine the prevalence of S. aureus in chicken meat in Egyptian markets. Thus, this study might be the first to assess the efficiency of different natural phenolic compounds as novel antibacterial agents against MDR S. aureus pathogens isolated from raw chicken meat in the Egyptian market. The incidence and quantification of pathogenic S. aureus were detected in retail raw chicken meat parts (breast, thigh, fillet, and giblets). In total, 73 out of 80 (91.3%) of the chicken meat parts were contaminated, with S. aureus as the only species isolated. Of the 192 identified S. aureus isolates, 143 were coagulase-positive S. aureus and 117 isolates were MDR (81.8%, 117/143). Twenty-two antibiotic resistance profile patterns were detected. One strain was randomly selected from each pattern to further analyze virulence and resistance genes. Extracted DNA was assessed for the presence of antibiotic-resistance genes, i.e., vancomycin-resistance (vanA), aminoglycosides-resistance (aacA–aphD), apramycin-resistance (apmA), and methicillin-resistance (mecA), penicillin-resistance (blaZ), and virulence genes staphylococcal enterotoxins (sea and seb), Panton–Valentine leucocidin (pvl), clumping factor A (clfA), and toxic shock syndrome toxin (tst). Clustering analyses revealed that six S. aureus strains harbored the most virulence and resistance genes. The activity of hydroquinone was significantly higher than thymol, carvacrol, eugenol, and protocatechuic acid. Therefore, phenolic compounds, particularly hydroquinone, could potentially alternate with conventional antibiotics against the pathogenic MDR S. aureus inhabiting raw chicken meat. Hence, this study indicates that urgent interventions are necessary to improve hygiene for safer meat in Egyptian markets. Moreover, hydroquinone could be a natural phenolic compound for inhibiting foodborne pathogens.

  • Editorial: Impact of hyperglycemia induced oxidative stress in genetics and epigenetics of metabolic diseases
    Saheem Ahmad, Firoz Akhter, Khurshid Ahmad, and Saif Khan

    Frontiers Media SA
    Department of Medical Laboratory Sciences, College of Applied Medical Science, University of Hail, Hail, Saudi Arabia, Department of Biomedical Engineering, Stony Brook University, New York, NY, United States, Department of Medical Biotechnology, Yeungnam University, Gyeongsan, Republic of Korea, Department of Basic Medical and Dental Sciences, College of Dentistry, University of Hail, Hail, Saudi Arabia

  • Editorial: Computational drug discovery of medicinal compounds for cancer management
    Sibhghatulla Shaikh, Khurshid Ahmad, Mohammad Ehtisham Khan, and Faez Iqbal Khan

    Frontiers Media SA

  • Identification of active compounds as novel dipeptidyl peptidase-4 inhibitors through machine learning and structure-based molecular docking simulations
    Shahid Ali, Sibhghatulla Shaikh, Khurshid Ahmad, and Inho Choi

    Informa UK Limited
    The enzyme dipeptidyl peptidase 4 (DPP4) is a potential therapeutic target for type 2 diabetes (T2DM). Many synthetic anti-DPP4 medications are available to treat T2DM. The need for secure and efficient medicines has been unmet due to the adverse side effects of existing DPP4 medications. The present study implemented a combined approach to machine learning and structure-based virtual screening to identify DPP4 inhibitors. Two ML models were trained based on DPP4 IC50 datasets. The ML models random forest (RF) and multilayer perceptron (MLP) neural network showed good accuracy, with the area under the curve being 0.93 and 0.91, respectively. The natural compound library was screened through ML models, and 1% (217) of compounds were selected for further screening. Structure-based virtual screening was performed along with positive control sitagliptin to obtain more specific and selective leads for DPP4. Based on binding affinity, drug-likeness properties, and interaction with DPP4, Z-614 and Z-997 compounds showed high binding affinity and specificity in the catalytic pocket of DPP4. Finally, the stability conformation of the DPP4 enzyme complex was checked by a molecular dynamics (MD) simulation. The MD simulation showed that both compounds bind better in the catalytic pocket, but the Z-614 compound altered the DPP4 native conformation. Therefore, Z-614 showed a high deviation in the backbone. This combined approach (ML and structure-based) study reported that Z-997 binds most stably to DPP4 in their catalytic pocket with a binding free energy of -70.3 kJ/mol, suggesting its therapeutic potential as a treatment option for T2DM disease.Communicated by Ramaswamy H. Sarma.

  • Editorial: An insight into multi-omics analysis of dementia disorders
    Prachi Srivastava, Anshul Tiwari, Khurshid Ahmad, Neha Srivastava, and Prekshi Garg

    Frontiers Media SA
    Dementia is a debilitating and prevalent disorder affecting millions worldwide (Chern and Golub, 2019). The emergence of multi-omics analysis has led to a better understanding of the underlying disease mechanism and its effective treatment. This advanced approach combines data from multiple sources, such as genomics, transcriptomics, proteomics, and metabolomics, that helps understand the complex biological processes resulting in dementia. The potential benefits of multi-omics analysis in dementia research are significant. Researchers can develop more targeted and effective therapies by identifying key molecular pathways and biomarkers associated with these disorders. Multi-omics analysis may also help to identify subtypes of dementia disorders, allowing for more personalized treatment approaches. For a better understanding of the complex biological processes involved in dementia, the multi-omics analysis combines data from multiple resources leading to new insights and potential treatments for this devastating disorder (Mavrina et al., 2022). This Research Topic presents eight manuscripts, consisting of five original research papers, one case report, one review, and one mini-review. The manuscripts cover a diverse range of Research Topic related to recent advances and applications of multi-omics analysis in the field of dementia and neurodegenerative disorders. These expert-contributed manuscripts provide valuable insights into the underlying molecular mechanisms of dementia-related disorders as well as new diagnostic and treatment strategies. Wang et al., examined the upregulated expression of PLAGL2 in gliomas and identified a correlation with negative clinicopathological characteristics, including tumor grade. Moreover, the investigation revealed the role of PLAGL2 as an independent prognostic indicator, not for only progression-free survival (PFS) but also overall survival (OS) in clinical glioma specimens. Therefore, findings highlight the role of PLAGL2 expression in glioma progression and suggest its potential use as a prognostic marker for diagnosis and prognosis. The study’s results could have a significant impact on the diagnosis and treatment of patients with high-grade gliomas. Alqahtani et al., examined 47 genes associated with dementia and discovered that compositional, selectional, and mutational forces affect codon usage bias (CUB). The study suggested the positive association between high GC content and elevated gene expression OPEN ACCESS

  • The roles of growth factors and hormones in the regulation of muscle satellite cells for cultured meat production
    Syed Sayeed Ahmad, Hee Jin Chun, Khurshid Ahmad, Sibhghatulla Shaikh, Jeong Ho Lim, Shahid Ali, Sung Soo Han, Sun Jin Hur, Jung Hoon Sohn, Eun Ju Lee,et al.

    Korean Society of Animal Science and Technology
    Abstract Cultured meat is a potential sustainable food generated by the in vitro myogenesis of muscle satellite (stem) cells (MSCs). The self-renewal and differentiation properties of MSCs are of primary interest for cultured meat production. MSC proliferation and differentiation are influenced by a variety of growth factors such as insulin-like growth factors (IGF-1 and IGF-2), transforming growth factor beta (TGF-β), fibroblast growth factors (FGF-2 and FGF-21), platelet-derived growth factor (PDGF) and hepatocyte growth factor (HGF) and by hormones like insulin, testosterone, glucocorticoids, and thyroid hormones. In this review, we investigated the roles of growth factors and hormones during cultured meat production because these factors provide signals for MSC growth and structural stability. The aim of this article is to provide the important idea about different growth factors such as FGF (enhance the cell proliferation and differentiation), IGF-1 (increase the number of myoblasts), PDGF (myoblast proliferation), TGF-β1 (muscle repair) and hormones such as insulin (cell survival and growth), testosterone (muscle fiber size), dexamethasone (myoblast proliferation and differentiation), and thyroid hormones (amount and diameter of muscle fibers and determine the usual pattern of fiber distributions) as media components during myogenesis for cultured meat production.

  • IgLON4 Regulates Myogenesis via Promoting Cell Adhesion and Maintaining Myotube Orientation
    Jeong Ho Lim, Khurshid Ahmad, Hee Jin Chun, Ye Chan Hwang, Afsha Fatima Qadri, Shahid Ali, Syed Sayeed Ahmad, Sibhghatulla Shaikh, Jungseok Choi, Jihoe Kim,et al.

    MDPI AG
    Immunoglobulin-like cell adhesion molecule (IgLON4) is a glycosylphosphatidylinositol-anchored membrane protein that has been associated with neuronal growth and connectivity, and its deficiency has been linked to increased fat mass and low muscle mass. Adequate information on IgLON4 is lacking, especially in the context of skeletal muscle. In this study, we report that IgLON4 is profusely expressed in mouse muscles and is intensely localized on the cell membrane. IgLON4 expression was elevated in CTX-injected mouse muscles, which confirmed its role during muscle regeneration, and was abundantly expressed at high concentrations at cell-to-cell adhesion and interaction sites during muscle differentiation. IgLON4 inhibition profoundly affected myotube alignment, and directional analysis confirmed this effect. Additionally, results demonstrating a link between IgLON4 and lipid rafts during myogenic differentiation suggest that IgLON4 promotes differentiation by increasing lipid raft accumulation. These findings support the notion that a well-aligned environment promotes myoblast differentiation. Collectively, IgLON4 plays a novel role in myogenesis and regeneration, facilitates myotube orientation, and is involved in lipid raft accumulation.

  • Dipeptidyl peptidase-4 inhibitory potentials of Glycyrrhiza uralensis and its bioactive compounds licochalcone A and licochalcone B: An in silico and in vitro study
    Sibhghatulla Shaikh, Shahid Ali, Jeong Ho Lim, Hee Jin Chun, Khurshid Ahmad, Syed Sayeed Ahmad, Ye Chan Hwang, Ki Soo Han, Na Ri Kim, Eun Ju Lee,et al.

    Frontiers Media SA
    Type 2 diabetes mellitus (T2DM) is a growing global public health issue, and dipeptidyl peptidase-4 (DPP-4) is a potential therapeutic target in T2DM. Several synthetic anti-DPP-4 medications can be used to treat T2DM. However, because of adverse effects, there is an unmet demand for the development of safe and effective medications. Natural medicines are receiving greater interest due to the inherent safety of natural compounds. Glycyrrhiza uralensis (licorice) is widely consumed and used as medicine. In this study, we investigated the abilities of a crude water extract (CWE) of G. uralensis and two of its constituents (licochalcone A (LicA) and licochalcone B (LicB)) to inhibit the enzymatic activity of DPP-4 in silico and in vitro. In silico studies showed that LicA and LicB bind tightly to the catalytic site of DPP-4 and have 11 amino acid residue interactions in common with the control inhibitor sitagliptin. Protein-protein interactions studies of LicA-DPP4 and LicB-DPP4 complexes with GLP1 and GIP reduced the DPP-4 to GLP1 and GIP interactions, indicated that these constituents might reduce the degradations of GLP1 and GIP. In addition, molecular dynamics simulations revealed that LicA and LicB stably bound to DPP-4 enzyme. Furthermore, DPP-4 enzyme assay showed the CWE of G. uralensis, LicA, and LicB concentration-dependently inhibited DPP-4; LicA and LicB had an estimated IC50 values of 347.93 and 797.84 μM, respectively. LicA and LicB inhibited DPP-4 at high concentrations, suggesting that these compounds could be used as functional food ingredients to manage T2DM.

  • Editorial: Unfolded protein response (UPR): An impending target for multiple neurological disorders
    Arif Tasleem Jan, Safikur Rahman, Khurshid Ahmad, and Rinki Minakshi

    Frontiers Media SA
    COPYRIGHT © 2022 Jan, Rahman, Ahmad and Minakshi. This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms. Editorial: Unfolded protein response (UPR): An impending target for multiple neurological disorders

  • Identification and Evaluation of Traditional Chinese Medicine Natural Compounds as Potential Myostatin Inhibitors: An In Silico Approach
    Shahid Ali, Khurshid Ahmad, Sibhghatulla Shaikh, Jeong Ho Lim, Hee Jin Chun, Syed Sayeed Ahmad, Eun Ju Lee, and Inho Choi

    MDPI AG
    Myostatin (MSTN), a negative regulator of muscle mass, is reported to be increased in conditions linked with muscle atrophy, sarcopenia, and other muscle-related diseases. Most pharmacologic approaches that treat muscle disorders are ineffective, emphasizing the emergence of MSTN inhibition. In this study, we used computational screening to uncover natural small bioactive inhibitors from the Traditional Chinese Medicine database (~38,000 compounds) for the MSTN protein. Potential ligands were screened, based on binding affinity (150), physicochemical (53) and ADMET properties (17). We found two hits (ZINC85592908 and ZINC85511481) with high binding affinity and specificity, and their binding patterns with MSTN protein. In addition, molecular dynamic simulations were run on each complex to better understand the interaction mechanism of MSTN with the control (curcumin) and the hit compounds (ZINC85592908 and ZINC85511481). We determined that the hits bind to the active pocket site (Helix region) and trigger conformational changes in the MSTN protein. Since the stability of the ZINC85592908 compound was greater than the MSTN control, we believe that ZINC85592908 has therapeutic potential against the MSTN protein and may hinder downstream singling by inhibiting the MSTN protein and increasing myogenesis in the skeletal muscle tissues.

RECENT SCHOLAR PUBLICATIONS

  • Artificial General Intelligence for the Detection of Neurodegenerative Disorders
    YA Qadri, K Ahmad, SW Kim
    Sensors 24 (20), 6658 2024

  • Effect of Glycyrrhiza uralensis crude water extract on the expression of Nitric Oxide Synthase 2 gene during myogenesis
    AF Qadri, S Shaikh, YC Hwang, K Ahmad, I Choi, EJ Lee
    Heliyon 10 (14) 2024

  • Therapeutic potential and action mechanisms of licochalcone B: A mini review
    S Shaikh, EJ Lee, K Ahmad, I Choi
    Frontiers in Molecular Biosciences 11, 1440132 2024

  • Mss51 protein inhibition serves as a novel target for type 2 diabetes: a molecular docking and simulation study
    S Ali, K Ahmad, S Shaikh, HJ Chun, I Choi, EJ Lee
    Journal of Biomolecular Structure and Dynamics 42 (9), 4862-4869 2024

  • Therapeutic applications of biological macromolecules and scaffolds for skeletal muscle regeneration: A review
    SS Ahmad, K Ahmad, JH Lim, S Shaikh, EJ Lee, I Choi
    International Journal of Biological Macromolecules, 131411 2024

  • Licochalcone A and B enhance muscle proliferation and differentiation by regulating Myostatin
    K Ahmad, EJ Lee, S Ali, KS Han, SJ Hur, JH Lim, I Choi
    Phytomedicine 125, 155350 2024

  • Molecular Landscape of Bladder Cancer: Key Genes, Transcription Factors, and Drug Interactions
    Danishuddin, MA Haque, S Khan, JJ Kim, K Ahmad
    International Journal of Molecular Sciences 25 (20), 10997 2024

  • Targeting myostatin using quercetin as a media supplement to improve myogenesis for cultured meat production: An in silico and in vitro study
    SS Ahmad, JH Lim, K Ahmad, HJ Chun, SJ Hur, EJ Lee, I Choi
    Current Research in Food Science 8, 100678 2024

  • Therapeutic applications of ginseng for skeletal muscle-related disorder management
    SS Ahmad, HJ Chun, K Ahmad, I Choi
    Journal of Ginseng Research 48 (1), 12-19 2024

  • Identification of active compounds as novel dipeptidyl peptidase-4 inhibitors through machine learning and structure-based molecular docking simulations
    S Ali, S Shaikh, K Ahmad, I Choi
    Journal of Biomolecular Structure and Dynamics, 1-10 2023

  • Therapeutic applications of ginseng natural compounds for health management
    SS Ahmad, K Ahmad, YC Hwang, EJ Lee, I Choi
    International Journal of Molecular Sciences 24 (24), 17290 2023

  • Computational drug discovery of medicinal compounds for cancer management
    S Shaikh, K Ahmad, ME Khan, FI Khan
    Frontiers in Chemistry 11, 1343183 2023

  • Therapeutic application of natural compounds for skeletal muscle-associated metabolic disorders: A review on diabetes perspective
    K Ahmad, S Shaikh, JH Lim, SS Ahmad, HJ Chun, EJ Lee, I Choi
    Biomedicine & Pharmacotherapy 168, 115642 2023

  • Extracellular matrix: the critical contributor to skeletal muscle regeneration—a comprehensive review
    K Ahmad, S Shaikh, HJ Chun, S Ali, JH Lim, SS Ahmad, EJ Lee, I Choi
    Inflammation and Regeneration 43 (1), 58 2023

  • Virtual Insights into Natural Compounds as Potential 5α-Reductase Type II Inhibitors: A Structure-Based Screening and Molecular Dynamics Simulation Study
    S Shaikh, S Ali, JH Lim, K Ahmad, KS Han, EJ Lee, I Choi
    Life 13 (11), 2152 2023

  • Potential of Natural Phenolic Compounds as Antimicrobial Agents against Multidrug-Resistant Staphylococcus aureus in Chicken Meat
    AEMA Morshdy, KME Abdallah, HE Abdallah, FD Algahtani, MT Elabbasy, ...
    Molecules 28 (18), 6742 2023

  • An insight into multi-omics analysis of dementia disorders
    P Srivastava, A Tiwari, K Ahmad, N Srivastava, P Garg
    Frontiers in Genetics 14, 1206530 2023

  • Impact of hyperglycemia induced oxidative stress in genetics and epigenetics of metabolic diseases
    S Ahmad, F Akhter, K Ahmad, S Khan
    Frontiers in Genetics 14, 1123665 2023

  • The roles of growth factors and hormones in the regulation of muscle satellite cells for cultured meat production
    SS Ahmad, HJ Chun, K Ahmad, S Shaikh, JH Lim, S Ali, SS Han, SJ Hur, ...
    Journal of Animal Science and Technology 65 (1), 16 2023

  • IgLON4 regulates myogenesis via promoting cell adhesion and maintaining myotube orientation
    JH Lim, K Ahmad, HJ Chun, YC Hwang, AF Qadri, S Ali, SS Ahmad, ...
    Cells 11 (20), 3265 2022

MOST CITED SCHOLAR PUBLICATIONS

  • Mechanistic insights into the antimicrobial actions of metallic nanoparticles and their implications for multidrug resistance
    S Shaikh, N Nazam, SMD Rizvi, K Ahmad, MH Baig, EJ Lee, I Choi
    International journal of molecular sciences 20 (10), 2468 2019
    Citations: 456

  • Computer aided drug design: success and limitations
    M Hassan Baig, K Ahmad, S Roy, J Mohammad Ashraf, M Adil, ...
    Current pharmaceutical design 22 (5), 572-581 2016
    Citations: 414

  • Binding of tolperisone hydrochloride with human serum albumin: effects on the conformation, thermodynamics, and activity of HSA
    G Rabbani, EJ Lee, K Ahmad, MH Baig, I Choi
    Molecular pharmaceutics 15 (4), 1445-1456 2018
    Citations: 242

  • Computer aided drug design and its application to the development of potential drugs for neurodegenerative disorders
    MH Baig, K Ahmad, G Rabbani, M Danishuddin, I Choi
    Current neuropharmacology 16 (6), 740-748 2018
    Citations: 169

  • Implications of insulin-like growth factor-1 in skeletal muscle and various diseases
    SS Ahmad, K Ahmad, EJ Lee, YH Lee, I Choi
    Cells 9 (8), 1773 2020
    Citations: 150

  • Peptide based therapeutics and their use for the treatment of neurodegenerative and other diseases
    MH Baig, K Ahmad, M Saeed, AM Alharbi, GE Barreto, GM Ashraf, I Choi
    Biomedicine & Pharmacotherapy 103, 574-581 2018
    Citations: 126

  • Enzyme targeting strategies for prevention and treatment of cancer: Implications for cancer therapy
    MH Baig, M Adil, R Khan, S Dhadi, K Ahmad, G Rabbani, T Bashir, ...
    Seminars in cancer biology 56, 1-11 2019
    Citations: 105

  • Implication of caspase‐3 as a common therapeutic target for multineurodegenerative disorders and its inhibition using nonpeptidyl natural compounds
    S Khan, K Ahmad, EMA Alshammari, M Adnan, MH Baig, M Lohani, ...
    BioMed research international 2015 (1), 379817 2015
    Citations: 95

  • Halotolerant microbial consortia for sustainable mitigation of salinity stress, growth promotion, and mineral uptake in tomato plants and soil nutrient enrichment
    C Kapadia, RZ Sayyed, HA El Enshasy, H Vaidya, D Sharma, N Patel, ...
    Sustainability 13 (15), 8369 2021
    Citations: 73

  • Immunogenicity of DNA-advanced glycation end product fashioned through glyoxal and arginine in the presence of Fe3+: its potential role in prompt recognition of diabetes
    U Shahab, S Tabrez, MS Khan, F Akhter, MS Khan, M Saeed, K Ahmad, ...
    Chemico-biological interactions 219, 229-240 2014
    Citations: 67

  • Protein-protein interactions and their role in various diseases and their prediction techniques
    G Rabbani, MH Baig, K Ahmad, I Choi
    Current Protein and Peptide Science 19 (10), 948-957 2018
    Citations: 64

  • Methylglyoxal and Advanced Glycation End products: Insight of the regulatory machinery affecting the myogenic program and of its modulation by natural compounds
    MH Baig, AT Jan, G Rabbani, K Ahmad, JM Ashraf, T Kim, HS Min, ...
    Scientific Reports 7 (1), 5916 2017
    Citations: 63

  • Multifaceted interweaving between extracellular matrix, insulin resistance, and skeletal muscle
    K Ahmad, EJ Lee, JS Moon, SY Park, I Choi
    Cells 7 (10), 148 2018
    Citations: 62

  • Cross-talk between extracellular matrix and skeletal muscle: implications for myopathies
    K Ahmad, S Shaikh, SS Ahmad, EJ Lee, I Choi
    Frontiers in Pharmacology 11, 142 2020
    Citations: 60

  • Commonalities in biological pathways, genetics, and cellular mechanism between Alzheimer disease and other neurodegenerative diseases: an in silico-updated overview
    K Ahmad, M Hassan Baig, G Mushtaq, M Amjad Kamal, N H. Greig, I Choi
    Current Alzheimer Research 14 (11), 1190-1197 2017
    Citations: 58

  • Do all roads lead to the Rome? The glycation perspective!
    S Ahmad, F Akhter, U Shahab, Z Rafi, MS Khan, R Nabi, MS Khan, ...
    Seminars in cancer biology 49, 9-19 2018
    Citations: 57

  • Use of peptides for the management of Alzheimer’s disease: diagnosis and inhibition
    MH Baig, K Ahmad, G Rabbani, I Choi
    Frontiers in aging neuroscience 10, 21 2018
    Citations: 55

  • Targeting integrins for cancer management using nanotherapeutic approaches: Recent advances and challenges
    K Ahmad, EJ Lee, S Shaikh, A Kumar, KM Rao, SY Park, JO Jin, SS Han, ...
    Seminars in Cancer biology 69, 325-336 2021
    Citations: 52

  • Dermatopontin in skeletal muscle extracellular matrix regulates myogenesis
    T Kim, K Ahmad, S Shaikh, AT Jan, MG Seo, EJ Lee, I Choi
    Cells 8 (4), 332 2019
    Citations: 52

  • Multi-Spectroscopic Characterization of Human Serum Albumin Binding with Cyclobenzaprine Hydrochloride: Insights from Biophysical and In Silico Approaches
    MH Baig, S Rahman, G Rabbani, M Imran, K Ahmad, I Choi
    International Journal of Molecular Sciences 20 (3), 662 2019
    Citations: 52