Dr Premnath D has born and completed secondary and higher secondary school from the south tamilnadu town of sattur, He has graduated from Bachelor in Pharmacy from (govt) Medical University Chennai, Master of Technology in Bioinformatics program at SASTRA University Thanjavur INDIA 2007. Postdoctoral from the University of Manitoba CANADA, currently working as an at Karunya University Coimbatore India in Bioinformatics program he work at the Institute of Bioinformatics. Fourteen years of experience as an for the Institute of Bioinformatics keeps my experience in the application of computation in many fields. he also conducted project supervision for (B.Tech., M.Tech, M.Pharm) students in those research areas. He achieved teaching experience also as a visiting lecturer in some universities in India and carry out government-funded projects. Besides my main responsibility, He also accomplished some research independently or in a team mainly in the comp
Computational Studies and Chromatographic Profiling of Aristolochic Acid from Roots of Aristolochia indica L. as a PLA2 Inhibitor against the Four Poisonous Indian Snake Venoms R. S. David Paul Raj, W. Andrea Bernice, M. Beutline Malgija, S. Kavinila, J. Jannet Vennila, et al. Journal of Natural Remedies, 2025 Background: Envenomation caused by snakebite is a rapidly developing, extremely dangerous condition that is unlike any other acute illness, contributing to an alarming global mortality of 81,000 deaths annually, according to World Health Organization (WHO) reports. The common venomous snakes found in India are Cobra (Naja naja), Krait (Bungarus caeruleus), Russell’s viper (Daboia russelli), and Saw Scaled viper (Echis carinatus). Snake venoms contain many toxins endowed with phospholipase A2 (PLA2) activity. Treatments for snake bites include a vast collection of medicinal plants. Aim: Traditional healers employ the medicinal herb Aristolochia indica L., belonging to the family Aristolochiaceae, as a good source of anti-venom. Despite its known bioactive chemicals, the specific metabolites responsible for inhibiting PLA2 in snake venoms remain unidentified. Methods: This study aims to identify these active compounds and evaluate the ability to inhibit the venomous potential of the four poisonous snakes by targeting PLA2, through in silico approaches. Results: The compounds aristolochic acid, aristolindiquinone, and ishwarol exhibited the highest binding affinity and established hydrogen bond interactions through molecular docking. Additional studies utilizing molecular dynamics simulations validated the stability of Aristolochic acid with the target proteins. Conclusion: Furthermore, aristolochic acid was extracted using the hot extraction method, followed by condensation and purification through silica gel column chromatography (60-120 mesh). The eluted fractions were then subjected to UV spectroscopy and HPLC analysis for preliminary confirmation of the compound. Major Findings: In silico analysis demonstrated that aristolochic acid, aristolindiquinone, and ishwarol effectively inhibited PLA2 proteins from four venomous snake species, with aristolochic acid showing the highest stability during MD simulations. Ishwarol exhibited the strongest binding with PLA2 proteins of Naja naja, Echis carinatus and Bungarus caeruleus, while aristolindiquinone and aristolochic acid showed significant interactions with Daboia russelii.
Network pharmacology integrated molecular docking of fucoidan against oral cancer and in vitro evaluation- A study using GEO datasets Arul Jayanthi Antonisamy, Karthikeyan Rajendran, Premnath Dhanaraj Journal of Biomolecular Structure and Dynamics, 2025 Oral cancer is a widespread health concern in rural India due to a lack of awareness, delayed diagnosis and limited access to affordable treatment options. The current chemotherapy has notable side effects, underscoring the need for new drug candidates with improved bioavailability and specificity. In this current research, fucoidan, a sulphated polysaccharide, was extracted from the brown algae Spatoglossum asperum, and shown to be cytotoxic in vitro against oral cancer cells (KB cell line) at an IC50 of 107.76 µg/ml, suggesting its potential as a drug candidate. This study further aimed to explore the potential therapeutic implications of fucoidan in managing oral cancer using network pharmacology. PharmMapper, Comparative Toxicogenomics Database and SuperPred were initially used to identify fucoidan protein targets. The identified targets were further screened against Gene Expression Omnibus (GSE23558, GSE25099 and GSE146483), OMIM, TCGA and GeneCards datasets to identify oral cancer-specific protein targets. The interactions between the selected proteins were visualised using STRING and Cytoscape. Subsequently, Database for Annotation, Visualization and Integrated Discovery was used for gene ontology and Kyoto Encyclopedia of Genes and Genomes pathway enrichment analysis of candidate targets. The cancer-related network was assessed using CancerGeneNet, while life expectancy based on the expression of the top 10 CytoHubba ranked hub genes was evaluated using Kaplan-Meier plots. Finally, EGFR, AKT1, HSP90AA1 and SRC were selected for docking and molecular dynamics simulation with fucoidan, using Maestro and GROMACS, respectively.Communicated by Ramaswamy H. Sarma.
Unveiling the dual functionality of dimeric Cu(I)/(II) crystal as luminescence and electrochemical probe for Zn2+ and glucose detection—Structural, sensing and molecular docking studies Shanmugasundaram Shanjitha, Dhanaraj Premnath, Kumaresan Suvarnna, Suyambulingam Jone Kirubavathy Applied Organometallic Chemistry, 2024 A new crystalline dinuclear Cu(I)/(II) complex (E.F: C32H28Cu2N6O14) (1) of terephthalic acid (TERE) and 1, 10‐Phenathroline (PHEN) was synthesized under one‐pot approach. Structure identification of the complex was carried out using the single crystal XRD technique, which revealed the penta coordination nature of Cu(I)/(II) in a square pyramidal environment. Further, the structural data was supported by employing other spectroscopic studies (UV, ESR, FT‐IR). In addition, the thermal stability and morphology of the complex were elucidated using TGA and SEM‐EDAX analysis. Photoluminescence experiments revealed the capability of 1 to act as a “turn‐off” sensor towards Zn2+ sensing. This luminescence quenching of 1 exhibited a threefold quenching in intensity by achieving a static quenching process corresponding to a limit of detection (LOD) of 3.7 μM. Further, considering the electroactive nature of Cu(I)/(II) complex, the cyclic voltammetric experiments were performed to study its competence to act as a modifier of GCE for the detection of glucose and its excellent potency to act as an effective electroactive material in the detection of glucose solutions. Also, molecular docking of 1 with human bovine serum (HSA) and bovine serum albumin (BSA) was investigated to prove their ability to act as pharmacological agents.
Computational Approach to Identify the Key Genes for Invasive Lobular Carcinoma (ILC) Diagnosis and Therapies S. Anitha, S. Nandhini, D. Premnath, M. Indiraleka Journal of Computational Biophysics and Chemistry, 2024 Invasive Lobular Carcinoma (ILC) is a common form of breast cancer that begins in milk-producing glands lobules and spreads to other parts of the breast. According to the American Cancer Society, about 10–15% of breast cancer cases are ILC. ILC risk rises with age. The number of deaths caused by this cancer each year can be decreased through early diagnosis and if accurate therapy is given. However, diagnosis of ILC is difficult due to its development pattern as it grows as single file strands and not as lumps. Treatments of ILC involve chemotherapy, hormonal therapy and radiation therapy. Drugs that are being used for ILC, are commonly used to treat all types of breast cancer and there are no specific drugs that target receptors of ILC are available. Microarray technology’s emergence helps in finding the differentially expressed genes (DEGs) in malignant cells. From the DEGs, highly interacting genes were identified using the online tool, string. Seven key genes were identified based on the interaction and they are FN1, CDKN2A, COL1A1, COL3A1, COL11A1, LEF1 and IL1B. Thus, the drugs targeting these biomarkers were identified by doing molecular docking using the tool Autodock and molecular dynamic (MD) simulation using the tool iMODs. The response of the identified drugs to the ILC cell line was compared with the control drugs by in silico pharmacogenomic analysis and it was found that the identified drugs have a good response to the ILC cell line.
Molecular docking analysis of Mentha X Piperita derived ligands for targeting migraine receptors: Identification and evaluation of high-affinity compounds BM Muthumurgan, S Subramani, S Prabaharan, P Dhanaraj, I Muthiah Indian Journal of Biochemistry and Biophysics (IJBB) 63 (4), 400-407 , 2026 2026
Ruthenium (II)-arene complexes with N, N-donor ligands containing pharmacophore groups: Evaluation of anticancer, antibacterial, and catalytic properties VJ Tamilpriyai, P Dhanaraj, R Swaathy, SP Anthony, D Moon, V Madhu Journal of Molecular Structure, 145600 , 2026 2026
Enhancing diagnostic precision and accuracy in invasive lobular carcinoma through machine learning approaches LS Priya, ST Shri, J Swathi, D Premnath, M Indiraleka Indian Journal of Biochemistry and Biophysics (IJBB) 63 (2), 181-189 , 2026 2026
Annealing-Induced Defect Modulation and Functional Switching in ZnO Thin Films: DFT and Molecular Docking Analysis G Kale, KA Ganure, A Ghosh, SG Divakara, P Dhanaraj, SV Ganachari Journal of Inorganic and Organometallic Polymers and Materials, 1-13 , 2026 2026 Citations: 3
Recent Advances in Polysaccharide‐Based Nanoplatforms for Targeted Cancer Therapy: Innovations and Challenges in Drug Delivery Systems I Muthiah, AA Antony, P Dhanaraj, MHAA AlTurk Polymers in Functional Foods and Drugs: Chemistry and Essential Applications … , 2025 2025
Network pharmacology integrated molecular docking of fucoidan against oral cancer and in vitro evaluation- A study using GEO datasets AJ Antonisamy, K Rajendran, P Dhanaraj Journal of Biomolecular Structure and Dynamics 43 (15), 8397-8420 , 2025 2025 Citations: 8
Adhesion G-protein-coupled receptor (GPCR) and Triple-negative breast cancer (TNBC): A new perspective for the therapeutic effect of GPR116 in TNBC I Muthiah, K Rajendran, P Dhanaraj Indian Journal of Biochemistry and Biophysics (IJBB) 62 (1), 60-68 , 2024 2024
2-[( E )-(2-carboxybenzylidene) amino] ethan ammonium-like amino acid zwitterions: crystal structure, functional studies and its molecular dynamic simulation study … MS Paulraj, S Eringathodi, AKMM Mollah, CT Alexis Thayaparan, ... Journal of Biomolecular Structure and Dynamics 42 (12), 6081-6090 , 2024 2024 Citations: 1
Unveiling the dual functionality of dimeric Cu(I)/(II) crystal as luminescence and electrochemical probe for Zn 2+ and glucose detection—Structural, sensing and … S Shanjitha, D Premnath, K Suvarnna, SJ Kirubavathy Applied Organometallic Chemistry 38 (6), e7465 , 2024 2024 Citations: 1
Computational Approach to Identify the Key Genes for Invasive Lobular Carcinoma (ILC) Diagnosis and Therapies S Anitha, S Nandhini, D Premnath, M Indiraleka Journal of Computational Biophysics and Chemistry 23 (03), 403-415 , 2024 2024 Citations: 1
Cloning, phylogeny and three dimensional structure analysis of the gene encoding Interferon-ε of Sheep (Ovis aries) G Nagarajan, K Kanagarajadurai, AS Meena, R Kumar, PR Sharma, ... Indian Journal of Biochemistry and Biophysics (IJBB) 61 (4), 232-240 , 2024 2024 Citations: 1
Eco-friendly synthesis, structural elucidation, computational investigation and in vitro antioxidant activity of a new N-tosylated benzimidazole derivative AI Almansour, N Arumugam, SM Soliman, E Viswanathan, N Dege, ... Journal of Molecular Structure 1296, 136825 , 2024 2024 Citations: 11
Antimicrobial evaluation of spirooxindolopyrrolidine engrafted indoles against multidrug resistant ESKAPE clinical pathogens N Arumugam, KI Al-Shemaimari, M Altaf, K Ponmurugan, D Premnath, ... Journal of King Saud University-Science 36 (1), 102996 , 2024 2024 Citations: 4
Halo-bridged Cu (II) complexes with pyridine–pyrazole ligands: Influence of halogen and ligand lipophilicity on antimicrobial activity VJ Tamilpriyai, P Nagarasu, KS Dharshini, P Dhanaraj, A Veerappan, ... Journal of Molecular Structure 1294, 136414 , 2023 2023 Citations: 5
A Facile Regio‐and Stereoselective Synthesis and Cholinesterase Inhibitory Activity of New Oxobenzothiophene Grafted Spiropyrrolidine/Pyrrolizidine Hybrids Employing … R Raju, S Mani, N Arumugam, AI Almansour, R Suresh Kumar, ... ChemistrySelect 8 (32), e202301837 , 2023 2023 Citations: 2
Nickel sulfide and dysprosium-doped nickel sulfide nanoparticles: Dysprosium-induced variation in properties, in vitro chemo-photothermal behavior, and antibacterial activity GS Varalakshmi, C Pawar, R Selvam, WG Pearl, V Manikantan, AS Pillai, ... International Journal of Pharmaceutics 643, 123282 , 2023 2023 Citations: 17
Highly functionalized dispiropyrrolidine embedded indandione hybrids as potent cholinesterase inhibitors SI Alaqeel, N Arumugam, AI Almansour, RS Kumar, R Ayub, D Premnath, ... Journal of King Saud University-Science 35 (5), 102706 , 2023 2023
An insight into the structure and functions of flabelliferins and borassosides; nutraceuticals in Asian palm (Borassus flabellifer) CTA Thayaparan, SA Kuldeep, S Dewanjee, E Kazi, S Tharmalingam, ... Journal of Food Nutrition Chemistry Volume 1 (2) , 2023 2023
Crystallization of 1, 4-cyclohexanedicarboxylic acid bridged tetra nuclear Cu (II) complex containing N–N chelating ligand–crystal structure, antimicrobial, antioxidant … S Shanjitha, K Suvarnna, J Zothanzama, NS Kumar, D Premnath, ... Journal of the Iranian Chemical Society 19 (12), 4747-4760 , 2022 2022 Citations: 6
Synthesis, computational studies and antibacterial assessment of dispirooxindolopyrrolidine integrated indandione hybrids SI Alaqeel, N Arumugam, V Viswanathan, AI Almansour, RS Kumar, ... Journal of Molecular Structure 1267, 133577 , 2022 2022 Citations: 3
MOST CITED SCHOLAR PUBLICATIONS
1, 4-Naphthoquinone analogues: Potent antibacterial agents and mode of action evaluation P Ravichandiran, S Sheet, D Premnath, AR Kim, DJ Yoo Molecules 24 (7), 1437 , 2019 2019 Citations: 134
Synthesis and antimicrobial evaluation of 1, 4‐naphthoquinone derivatives as potential antibacterial agents P Ravichandiran, M Masłyk, S Sheet, M Janeczko, D Premnath, AR Kim, ... ChemistryOpen 8 (5), 589-600 , 2019 2019 Citations: 71
Myricetin: Versatile plant based flavonoid for cancer treatment by inducing cell cycle arrest and ROS–reliant mitochondria-facilitated apoptosis in A549 lung cancer cells and … P Rajendran, U Maheshwari, A Muthukrishnan, R Muthuswamy, K Anand, ... Molecular and Cellular Biochemistry 476 (1), 57-68 , 2021 2021 Citations: 68
Chemosensory bitter taste receptors (T2Rs) are activated by multiple antibiotics A Jaggupilli, N Singh, VC De Jesus, MS Gounni, P Dhanaraj, P Chelikani The FASEB Journal 33 (1), 501-517 , 2019 2019 Citations: 62
Structural and molecular docking studies of biologically active mercaptopyrimidine Schiff bases SC Kirubavathy, S. Jone, R. Velmurugan, R. Karvembu, N. S. P. Bhuvanesh ... Journal of Molecular Structure, 345-354 , 2017 2017 Citations: 53
Plasticity of the ligand binding pocket in the bitter taste receptor T2R7 K Liu, A Jaggupilli, D Premnath, P Chelikani Biochimica et Biophysica Acta (BBA)-Biomembranes 1860 (5), 991-999 , 2018 2018 Citations: 49
Simple and robust green synthesis of Au NPs on reduced graphene oxide for the simultaneous detection of toxic heavy metal ions and bioremediation using bacterium as the scavenger P Gnanaprakasam, SE Jeena, D Premnath, T Selvaraju Electroanalysis 28 (8), 1885-1893 , 2016 2016 Citations: 45
On the accessibility of surface-bound drugs on magnetic nanoparticles. Encapsulation of drugs loaded on modified dextran-coated superparamagnetic iron oxide by β-cyclodextrin N Sudha, S Yousuf, EVMV Israel, MS Paulraj, P Dhanaraj Colloids and Surfaces B: Biointerfaces 141, 423-428 , 2016 2016 Citations: 41
Tuning the binding of coumarin 6 with DNA by molecular encapsulators: effect of β‐cyclodextrin and C‐hexylpyrogallol [4] arene S Chandrasekaran, Y Sameena, IV Enoch Journal of molecular recognition 27 (11), 640-652 , 2014 2014 Citations: 39
Capping of silybin with β-cyclodextrin influences its binding with bovine serum albumin: A study by fluorescence spectroscopy and molecular modeling S Natesan, C Sowrirajan, P Dhanaraj, I Enoch Bulletin of the Korean Chemical Society 35 (7), 2114-22 , 2014 2014 Citations: 38
In silico molecular docking and physicochemical property studies on effective phytochemicals targeting GPR116 for breast cancer treatment I Muthiah, K Rajendran, P Dhanaraj Molecular and Cellular Biochemistry 476 (2), 883-896 , 2021 2021 Citations: 37
Synthesis, molecular docking and cytotoxicity evaluation of novel 2-(4-amino-benzosulfonyl)-5H-benzo [b] carbazole-6, 11-dione derivatives as histone deacetylase (HDAC8) inhibitors P Ravichandiran, A Jegan, D Premnath, VS Periasamy, ... Bioorganic Chemistry 53, 24-36 , 2014 2014 Citations: 37
Alteration of the binding strength of dronedarone with bovine serum albumin by β-cyclodextrin: a spectroscopic study N Sudha, Y Sameena, S Chandrasekaran, IVMV Enoch, D Premnath Spectroscopy Letters 48 (2), 112-119 , 2015 2015 Citations: 36
Magnetic hydroxyapatite nanomaterial–cyclodextrin tethered polymer hybrids as anticancer drug carriers S Ramasamy, D Dhamecha, K Kaliyamoorthi, AS Pillai, A Alexander, ... Materials advances 2 (10), 3315-3327 , 2021 2021 Citations: 35
Binding of a chromen-4-one Schiff’s base with bovine serum albumin: capping with β-cyclodextrin influences the binding S Chandrasekaran, N Sudha, D Premnath, IVMV Enoch Journal of Biomolecular Structure and Dynamics 33 (9), 1945-1956 , 2015 2015 Citations: 34
Synthesis and spectroscopic characterization of fluorescent 4-aminoantipyrine analogues: Molecular docking and in vitro cytotoxicity studies D Premnath, PM Selvakumar, P Ravichandiran, GT Selvan, M Indiraleka, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 153, 118-123 , 2016 2016 Citations: 33
An open clinical evaluation of selected siddha regimen in expediting the management of COVID-19–A randomized controlled study SM Chitra, P Mallika, N Anbu, R NarayanaBabu, A SugunaBai, RSDP Raj, ... Journal of Ayurveda and integrative medicine 13 (1), 100397 , 2022 2022 Citations: 32
Domino Multicomponent Approach for the Synthesis of Functionalized Spiro-Indeno[1,2- b ]quinoxaline Heterocyclic Hybrids and Their Antimicrobial Activity … AI Almansour, N Arumugam, R Suresh Kumar, DM Al-Thamili, ... Molecules 24 (10), 1962 , 2019 2019 Citations: 30
Synthesis, structure, biological/chemosensor evaluation and molecular docking studies of aminobenzothiazole Schiff bases JK Suyambulingam, R Karvembu, NSP Bhuvanesh, IVMV Enoch, ... Journal of Adhesion Science and Technology 34 (23), 2590-2612 , 2020 2020 Citations: 29
Design, synthesis, molecular docking as histone deacetylase (HDAC8) inhibitors, cytotoxicity and antibacterial evaluation of novel 6-(4-(4-aminophenylsulfonyl) phenylamino)-5 H … P Ravichandiran, A Jegan, D Premnath, VS Periasamy, S Vasanthkumar Medicinal Chemistry Research 24 (1), 197-208 , 2015 2015 Citations: 25
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