SREERAMA RAJASEKHAR

@svcop.in

Associate Professor, Department of Pharmaceutical Cheistry
Sri Venkateswara College of Pharmacy

SREERAMA RAJASEKHAR


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https://researchid.co/rajasekhar.sreerama

RESEARCH INTERESTS

Organic Chemistry, Computational Chemistry, Peptide Synthesis, Green Chemistry
11

Scopus Publications

383

Scholar Citations

7

Scholar h-index

6

Scholar i10-index

Scopus Publications

  • Comprehensive Computational Screening of 2-(2-(5-phenyl-1H-tetrazol-1-yl) ethyl)-1,2-thiazetidine 1,1-dioxide Derivatives as Potential Agents for Next-Generation Antibiotic Combating Drug-Resistant Community-Acquired Bacterial Pneumonia (CABP)
    Advanced Journal of Chemistry Section A, 2025
  • In Silico Design and Investigation of Novel Thiazetidine Derivatives as Potent Inhibitors of PrpR in Mycobacterium tuberculosis
    Upala Dasmahapatra, Sreerama Rajasekhar, Grandhe Neelima, Barnali Maiti, Ramanathan Karuppasamy, Poornima Murali, Balamurali MM, Kaushik Chanda
    Chemistry and Biodiversity, 2023
    Tuberculosis is one of the most life-threatening acute infectious diseases diagnosed in humans. In the present investigation, a series of 16 new disubstituted 1,3-thiazetidines derivatives is designed, and investigated via various in silico methods for their potential as anti-tubercular agent by evaluating their ability to block the active site of PrpR transcription factor protein of Mycobacterium tuberculosis. The efficacy of the molecules was initially assessed with the help of AutoDock Vina algorithm. Further Glide module is used to redock the previously docked complexes. The binding energies and other physiochemical properties of the designed molecules were evaluated using the Prime-MM/GBSA and the QikProp module, respectively. The results of docking revealed the nature, site of interaction and the binding affinity between the proposed candidates and the active site of PrpR. Further the inhibitory effect of the scaffolds was predicted and evaluated employing a machine learning-based algorithm and was used accordingly. Further, the molecular dynamics simulation studies ascertained the binding characteristics of the unique 13, when analysed across a time frame of 100 ns with GROMACS software. The results show that the proposed 1,3-thiazetidine derivatives such as 10, 11, 13 and 14 could be potent and selective anti-tubercular agents as compared to the standard drug Pyrazinamide. Finally, this study concludes that designed thiazetidines can be employed as anti-tubercular agents. Undeniably, the results may guide the experimental biologists to develop safe and non-toxic drugs against tuberculosis by demanding further in vivo and in vitro analyses.
  • Identification of novel inhibitors for Prp protein of Mycobacterium tuberculosis by structure based drug design, and molecular dynamics simulations
    Sreerama Rajasekhar, Soumyadip Das, Ramanathan Karuppasamy, Balamurali Musuvathi Motilal, Kaushik Chanda
    Journal of Computational Chemistry, 2022
    In this study, we assess the effective inhibition of a series of thiazolidine derivatives (1a–1q) were adopting structure‐based drug design. Thiazolidine is a five‐membered ring structure with thioether and amino groups at positions 1 and 3. Although, thiazolidine may bind to a wide range of protein targets, it is a major heterocyclic core in medicinal chemistry. Different scoring utilities including AutoDock Vina, Glide, and MM/GBSA analysis were performed to commensurate the improvement of screening progress. The evaluated binding affinities were validated by molecular dynamics simulations over a period of 20 ns for the interactions between the Mycobacterium tuberculosis protein PrpR with three novel scaffolds (1b, 1j, and 1k). All the scaffolds exhibited distinct stable interactions with the significant residues like Arg169, Arg197, Tyr248, Arg308, and Gly311 respectively. Further, the inhibitory activities of scaffolds were predicted and evaluated by machine learning based algorithm to rank the above proposed compounds. This study reveals the potential of 1k and 1j as effective inhibitor candidates for the treatment of tuberculosis.
  • Therapeutic Inhibitory Activities of N-Hydroxy Derived Cytidines: A Patent Overview
    Sreerama Rajasekhar, Soumyadip Das, M. M. Balamurali, Kaushik Chanda
    Chemistryselect, 2021
    Abstract The structural enantiomers of nucleoside analogs are cytidine and β‐D‐N 4 ‐hydroxycytidine derivatives. This implies their significance as excellent anticancer agents by their compatibility with DNA/RNA polymerases and antiviral agents in particular, as polymerase inhibitors by with their ability to selectively inhibit against the Human Corona Virus and Severe acute respiratory syndrome coronavirus (SARS‐CoV) by reduction assay. This encouraged us to explore and collect the available data on the subject of therapeutic significance of cytidines and β‐D‐N 4 ‐hydroxycytidines. Many of their pharmacologically significant derivatives can serve as alternate targets to be investigated for various therapeutic applications. However, only a few cytidine and β‐D‐N 4 ‐hydroxycytidine derivatives were patented in the past decade. The Half maximal inhibitory concentration (IC 50 ) values of these patented therapeutic inhibitors range between 0.003 to<50 μM, depending on the nature of the biological assays. The current review examines cytidine and β‐D‐N 4 ‐hydroxycytidine derivatives as anticancer and antiviral targets, to explore over their developments with reference to the advancement of biological, pharmacological and therapeutic activates reported in patents over the last decade. Using various databases of Justia patent, Lens database and Google patents, the granted patents from 2010 to 2020 were retrieved. It is revealed that, the discovery of cytidine scaffolds were encouraged and disclosed for further improvements as therapeutical targets. Further the increase in the number of scientific reports and publications covering anticancer and antiviral agents for selective treatment of different cancers and viral infections indicate the significance of this subject along with few limitations that seek investigations in terms of optimistic, and interactive biological effects.
  • Exploration of potential inhibitors for tuberculosis via structure-based drug design, molecular docking, and molecular dynamics simulation studies
    Sreerama Rajasekhar, Ramanathan Karuppasamy, Kaushik Chanda
    Journal of Computational Chemistry, 2021
    Drug resistance in tuberculosis is major threat to human population. In the present investigation, we aimed to identify novel and potent benzimidazole molecules to overcome the resistance management. A series of 20 benzimidazole derivatives were examined for its activity as selective antitubercular agents. Initially, AutodockVina algorithm was performed to assess the efficacy of the molecules. The results are further enriched by redocking by means of Glide algorithm. The binding free energies of the compounds were then calculated by MM‐generalized‐born surface area method. Molecular docking studies elucidated that benzimidazole derivatives has revealed formation of hydrogen bond and strong binding affinity in the active site of Mycobacterium tuberculosis protein. Note that ARG308, GLY189, VAL312, LEU403, and LEU190 amino acid residues of Mycobacterium tuberculosis protein PrpR are involved in binding with ligands of benzimidazoles. Interestingly, the ligands exhibited same binding potential to the active site of protein complex PrpR in both the docking programs. In essence, the result portrays that benzimidazole derivatives such as 1p, 1q, and 1 t could be potent and selective antitubercular agents than the standard drug isoniazid. These compounds were then subjected to molecular dynamics simulation to validate the dynamics activity of the compounds against PrpR. Finally, the inhibitory behavior of compounds was predicted using a machine learning algorithm trained on a data collection of 15,000 compounds utilizing graph‐based signatures. Overall, the study concludes that designed benzimidazoles can be employed as antitubercular agents. Indeed, the results are helpful for the experimental biologists to develop safe and non‐toxic drugs against tuberculosis.
  • Interventional study to improve ionized calcium levels among postmenopausal women to prevent osteoporosis
    Anusha G, Sujatha V, Shalini R, Bhaskar Reddy K, Rajasekhar S
    International Journal of Research in Pharmaceutical Sciences, 2020
    This is due in part to vitamin D deficiency (vitamin D is a primary modulator of intestinal calcium and phosphate absorption), which is caused by a lack of sunlight combined with low vitamin D dietary intake and cutaneous synthesis. Secondary hyperparathyroidism is caused by low calcium intake and vitamin D deficiency, which is characterised as a serum 25-hydroxyvitamin D (25 (OH) D concentration below 12 ng/ml and is related to increased bone turnover and, indirectly, an increased risk of fracture. Furthermore, recent findings indicate that vitamin D deficiency is more widespread than previously thought, owing to a revision of the traditional 25 (OH) D threshold level below which parathyroid hormone secretion (PTH) begins to increase. Pre-prepared application forms were distributed among the study population to fill the required details, encouraged to fill the form by own. Those who are uneducated or unable to fill the form are helped by project staff. The value of z is 2.44949, the value of p is 0.01428 and the result is significant at p < 0.05 are obtained for the calcium levels of pre and post-test results of all study groups when compared against BMI. The value of z is 1.36471, the value of p is 0.00321 and the result is significant at p < 0.05 are obtained for the T-values of pre and post-test results of all study groups when compared against BMI. After observing the findings, it is clear that after eating prescribed nutritional food for three months, the ionised Calcium levels, overall Calcium levels, and bone density have increased significantly as compared to before taking nutritional food. As a result, the nutrient food given is a good source of calcium and helps postmenopausal women strengthen their bones. Furthermore, it is recommended that all age groups consume the recommended food kit to minimise the risk of osteoporosis and bone fracture.
  • A Decade Update on Benzoxazoles, a Privileged Scaffold in ­Synthetic Organic Chemistry
    Kaushik Chanda, Sreerama Rajasekhar, Barnali Maiti
    Synlett, 2017
    In 2014, more than 80% of the marketed drugs in the US contained heterocyclic compounds, which play a major role in the drug-discovery process, as one of the primary components. Benzoxazole, consisting of an oxazole ring fused with a benzene ring, has shown profound impact in drug discovery research owing to its important bioactivity. This moiety has also shown important properties in material science. The synthesis of this privileged scaffold from readily available chemicals remains a primary focus for the synthetic chemistry community. In this review, efforts have been made to focus on the latest information available on the different synthetic strategies such as solution phase, multicomponent, green and solid phase chemistry and applications of different benzoxazole derivatives. Furthermore, the updated synthetic information incorporated in this review article will help to improve future synthesis of this scaffold. 1 Introduction 2 Solution-Phase Synthetic Approach to Substituted Benzoxazoles 2.1 Condensation of o-Aminophenol with Carboxylic Acids 2.2 Condensation of o-Aminophenol with Aldehydes 2.3 Condensation of o-Aminophenol with Orthoesters, ortho-Haloamides, or 1,1-Dihaloalkenes 2.4 Synthesis of Benzoxazoles from Schiff Bases 2.5 Miscellaneous 3 Multicomponent Synthetic Approach to Substituted Benzoxa­zoles 4 Solid-Phase Synthetic Approach to Substituted Benzoxazoles 5 Green Synthetic Approach to Substituted Benzoxazoles 5.1 Condensation of o-Aminophenol with Aldehydes 5.2 Condensation of o-Aminophenol with ortho-Substituted Benz­amides 5.3 Condensation of o-Aminophenol with Carboxylic Acid and its Derivatives 5.4 Condensation of o-Aminophenol with Alcohols or Amines 5.5 Miscellaneous 6 Bioactive Derivatives of Benzoxazoles 7 Conclusion and Outlook
  • Synthesis and medicinal applications of benzimidazoles: An overview
    Sreerama Rajasekhar, Barnali Maiti, M. M. Balamurali, Kaushik Chanda
    Current Organic Synthesis, 2017
    Benzimidazole and its derivatives are regarded as an important heterocyclic motif that exhibits a wide range of pharmaceutical applications including anticancers, antihypertensives, antivirals, antifungals, anti-HIVs, anti-convulsants, and anti-diabetics. In view of their wide ranging activities, the synthesis of benzimidazoles and its derivatives remain a primary focus for synthetic chemistry communities. Till date numerous reports especially on the synthesis of 2-arylbenzimidazoles have been published but lack of knowledge on the detailed synthetic reports of two important derivatives such as 2-aminobenzimidazoles, and 2-(alkyl/aryl)thio benzimidazoles still persists. However, owing to fast developing benzimidazole containing new drugs numerous reports have appeared on the synthesis of this privileged scaffold. In this review, efforts have been taken to shed light on the latest informations available on the syntheses and applications of different benzimidazole derivatives. We have also tried to summarize the chemistry involved in the synthesis of various derivatives of benzimidazole for medicinal applications. Keywords: Benzimidazole, green synthesis, biological activity, 2-arylbenzimidazole, 2-aminobenzimidazole, 2-(alkyl/aryl)thiobenzimidazole.
  • Design, synthesis, characterization and anti-inflammatory activity of some novel benzimidazole derivatives
    International Journal of Research in Pharmaceutical Sciences, 2015
  • Synthesis, characterization and biological evaluation of some novel n-mannich bases of benzimidazole derivatives
    Indian Journal of Heterocyclic Chemistry, 2012
  • Chemical composition and antimicrobial activity of vellaikodi variety of Piper betle Linn leaf oil against dental pathogens
    International Journal of Pharmtech Research, 2011

RECENT SCHOLAR PUBLICATIONS

  • Mechanistic signaling pathways of flavonoid-induced oral squamous cell carcinoma therapy: Clinical evidence and therapeutic application
    MZA Begh, M Zehravi, JK Gupta, P Balaji, R Gangireddy, ...
    Pathology-Research and Practice, 156227 , 2025
    2025
    Citations: 2
  • Comprehensive computational screening of 2-(2-(5-phenyl-1H-tetrazol-1-yl) ethyl)-1, 2-thiazetidine 1, 1-dioxide derivatives as potential agents for next-generation antibiotic …
    N Shalan, J Sumalatha, S Mudavath, SS Gautam, P Jahnavi, RD Chakole, ...
    Adv. J. Chem. A 8, 1946-1977 , 2025
    2025
    Citations: 2
  • In Silico Design and Investigation of Novel Thiazetidine Derivatives as Potent Inhibitors of PrpR in Mycobacterium tuberculosis
    U Dasmahapatra, S Rajasekhar, G Neelima, B Maiti, R Karuppasamy, ...
    Chemistry & Biodiversity 20 (1), e202200925 , 2023
    2023
    Citations: 10
  • Recent trend on known pyrazolone endowed derivatives: An overview
    G Neelima, T Asha, S Rukmini, GK Brundha, S Rajasekhar
    International Journal of Current Pharmaceutical Research 14 (4), 28-35 , 2022
    2022
  • A system for delivery of nanocarriers towards osteosarcoma and overcoming cancer drug resistance.
    K Bhaskar Reddy, G Mohan Kumar, K Varalakshmi, VD Sundar, ...
    GR Patent A61K 47/30 , 2022
    2022
  • Identification of novel inhibitors for Prp protein of Mycobacterium tuberculosis by structure based drug design, and molecular dynamics simulations
    S Rajasekhar, S Das, R Karuppasamy, MM Balamurali, K Chanda
    Journal of Computational Chemistry 43 (9), 619-630 , 2022
    2022
    Citations: 18
  • Musuvathi Motilal, B.; Chanda, K. Identification of novel inhibitors for Prp protein of Mycobacterium tuberculosis by structure based drug design, and molecular dynamics …
    S Rajasekhar, S Das, R Karuppasamy
    J. Comput. Chem 43, 619-630 , 2022
    2022
    Citations: 6
  • Therapeutic Inhibitory Activities of N ‐Hydroxy Derived Cytidines: A Patent Overview
    S Rajasekhar, S Das, MM Balamurali, K Chanda
    ChemistrySelect 6 (48), 13786-13808 , 2021
    2021
    Citations: 1
  • Exploration of potential inhibitors for tuberculosis via structure‐based drug design, molecular docking, and molecular dynamics simulation studies
    S Rajasekhar, R Karuppasamy, K Chanda
    Journal of Computational Chemistry 42 (24), 1736-1749 , 2021
    2021
    Citations: 48
  • Nutritional Package for Preventing Osteoporosis among Post-Menopausal Women-In view of bone density.
    G Anusha, V Sujatha, R Shalini, KB Reddy, S Rajasekhar
    European Journal of Molecular and Clinical Medicine 8 (1), 2149-2159 , 2021
    2021
  • Machine learning based breast cancer detection in integration with fuzzy logic
    A Suneetha, RF Devarapalli, JM Gummadi, BR K., S S.M., BR S., SK K.V., ...
    AU Patent App. 2,020,104,023 , 2020
    2020
  • Artificial neural network based detection of cardiac arrhythmia in Heart patients.
    V J., S S.M., BR K., K K., G Swarnalatha, BR S., K Devarapalli, J D., G B., ...
    IN Patent 202041046509 A , 2020
    2020
  • Machine learning based smart detection of heart disease integrated with big data.
    AF Nikhat, A Shameem, S Sharma, N Chhimwal, ...
    IN Patent 202041045221 A , 2020
    2020
  • Review of Chemical, Pharmacological, Biological Activities of Isatin and Its Derivatives – Part-2 (2002 To 2020)
    S Seshaiah Krishnan, B Selvaraj, S Rajasekhar, D Jothieswari, ...
    Journal of Science and Technology 5 (4), 288-307 , 2020
    2020
  • Novel dual release nano structured lipid carrier enriched transdermal patch to deliver low bioavailable cardiovascular drugs
    BR K., BR S., S P., S S.M., S A, S Rajasekhar, S P
    IN Patent 202041026683 A , 2020
    2020
  • Review of Chemical, Pharmacological, Biological Activities of Isatin and its Derivatives – Part-1 (1877 to 2002)
    S Seshaiah Krishnan, B Selvaraj, S Rajasekhar, S Jayaseelan
    Journal of Science and Technology 5 (3), 225-247 , 2020
    2020
  • Interventional study to improve ionized Calcium levels among Postmenopausal Women to prevent Osteoporosis
    G Anusha, V Sujatha, R Shalini, K Bhaskar Reddy, S Rajasekhar
    INTERNATIONAL JOURNAL OF RESEARCH IN PHARMACEUTICAL SCIENCES 11 (4), 7817-7821 , 2020
    2020
  • In Silico Drug Design, Molecular Modelling, Synthesis and Characterization of Novel Benzimidazoles
    R Sreerama, C Kaushik
    Conference on Drug Design and Discovery Technologies 355, 273 , 2019
    2019
    Citations: 1
  • Direct Access to Highly Functionalised Benzimidazoles and Benzoxazoles from a Common Precursor
    A Garrido, PO Delaye, F Quintin, M Abarbri, P Lameiras, A Gueiffier, ...
    Synthesis 51 (21), 4006-4013 , 2019
    2019
    Citations: 4
  • Synthesis, Characterization of Some Novel Benzimidazole Compounds and its Prediction of Biological Activity through Computer-Aided Drug Design.
    RK Yadhav, M Sirisha, SH Kousar, J Chandrasekhar, S Rajasekhar
    Journal of Young Pharmacists 11 (3), 499 , 2019
    2019

MOST CITED SCHOLAR PUBLICATIONS

  • A Decade Update on Benzoxazoles, a Privileged Scaffold in ­Synthetic Organic Chemistry
    S Rajasekhar, B Maiti, K Chanda
    Synlett 28, 1-21 , 2017
    2017.0
    Citations: 106
  • Synthesis and Medicinal Applications of Benzimidazoles: An Overview
    K Chanda, S Rajasekhar, B Maiti, B MM
    Current Organic Synthesis 14 (1), 40-60 , 2016
    2016.0
    Citations: 91
  • Chemical composition and antimicrobial activity of vellaikodi variety of Piper betle Linn Leaf oil against dental Linn Leaf oil against dental Linn Leaf oil against pathogens
    PMSRR Sugumaran M, Suresh Gandhi M, Sankarnaraynan K, Yokesh M
    International Journal of Pharm Tech Research 3 (4), 2135-2139 , 2011
    2011.0
    Citations: 73
  • Exploration of potential inhibitors for tuberculosis via structure‐based drug design, molecular docking, and molecular dynamics simulation studies
    S Rajasekhar, R Karuppasamy, K Chanda
    Journal of Computational Chemistry 42 (24), 1736-1749 , 2021
    2021.0
    Citations: 48
  • Identification of novel inhibitors for Prp protein of Mycobacterium tuberculosis by structure based drug design, and molecular dynamics simulations
    S Rajasekhar, S Das, R Karuppasamy, MM Balamurali, K Chanda
    Journal of Computational Chemistry 43 (9), 619-630 , 2022
    2022.0
    Citations: 18
  • In Silico Design and Investigation of Novel Thiazetidine Derivatives as Potent Inhibitors of PrpR in Mycobacterium tuberculosis
    U Dasmahapatra, S Rajasekhar, G Neelima, B Maiti, R Karuppasamy, ...
    Chemistry & Biodiversity 20 (1), e202200925 , 2023
    2023.0
    Citations: 10
  • A Review on Analytical Methods for Determination of Guaifenesin Alone and In Combination with Other Drugs in Pharmaceutical Formulations
    SR Neelima G, Prayas Acharya, T Prasanth Kumar, Immanuel Agasteen
    Saudi Journal of Medical and Pharmaceutical Sciences 3 (3A), 148-159 , 2017
    2017.0
    Citations: 8
  • Musuvathi Motilal, B.; Chanda, K. Identification of novel inhibitors for Prp protein of Mycobacterium tuberculosis by structure based drug design, and molecular dynamics …
    S Rajasekhar, S Das, R Karuppasamy
    J. Comput. Chem 43, 619-630 , 2022
    2022.0
    Citations: 6
  • RP-HPLC method for the determination of tenatoprazole in pharmaceutical formulations
    M Sugumaran, M Poornima, MY Kumar, S Ramarajasekhar
    Der Pharmacia Sinica 2 (5), 12-16 , 2011
    2011.0
    Citations: 6
  • Direct Access to Highly Functionalised Benzimidazoles and Benzoxazoles from a Common Precursor
    A Garrido, PO Delaye, F Quintin, M Abarbri, P Lameiras, A Gueiffier, ...
    Synthesis 51 (21), 4006-4013 , 2019
    2019.0
    Citations: 4
  • Design, synthesis, characterization and anti-inflammatory activity of some novel Benzimidazole derivatives
    S Rajasekhar, G Neelima, K Chanda, V Gunasekaran.
    International Journal of Research in Pharmaceutical Sciences 6 (2), 115-118 , 2015
    2015.0
    Citations: 3
  • Mechanistic signaling pathways of flavonoid-induced oral squamous cell carcinoma therapy: Clinical evidence and therapeutic application
    MZA Begh, M Zehravi, JK Gupta, P Balaji, R Gangireddy, ...
    Pathology-Research and Practice, 156227 , 2025
    2025.0
    Citations: 2
  • Comprehensive computational screening of 2-(2-(5-phenyl-1H-tetrazol-1-yl) ethyl)-1, 2-thiazetidine 1, 1-dioxide derivatives as potential agents for next-generation antibiotic …
    N Shalan, J Sumalatha, S Mudavath, SS Gautam, P Jahnavi, RD Chakole, ...
    Adv. J. Chem. A 8, 1946-1977 , 2025
    2025.0
    Citations: 2
  • Development and Validation of RP-HPLC Method for Simultaneous Estimation of Guaifenesin and Pseudoephedrine HCl in Extended Release Tablet Dosage form
    PA Neelima G, Sreerama Rajasekhar, T Prasanth Kumar, Immanuel Agasteen
    Der Pharma Chemica 9 (6), 43-47 , 2017
    2017.0
    Citations: 2
  • Therapeutic Inhibitory Activities of N ‐Hydroxy Derived Cytidines: A Patent Overview
    S Rajasekhar, S Das, MM Balamurali, K Chanda
    ChemistrySelect 6 (48), 13786-13808 , 2021
    2021.0
    Citations: 1
  • In Silico Drug Design, Molecular Modelling, Synthesis and Characterization of Novel Benzimidazoles
    R Sreerama, C Kaushik
    Conference on Drug Design and Discovery Technologies 355, 273 , 2019
    2019.0
    Citations: 1
  • RP-HPLC method for the determination of Tenatoprazole in pharmaceutical formulations
    M Yogesh, S Ramarajasekhar
    Der Pharmacia Sinica , 2011
    2011.0
    Citations: 1
  • AN OVERVIEW OF HORMONE REPLACEMENT THERAPY IN MENOPAUSE
    S Rajasekhar, G Neelima, R Srikala, M Priyanka, G Deepthi
    Citations: 1
  • Recent trend on known pyrazolone endowed derivatives: An overview
    G Neelima, T Asha, S Rukmini, GK Brundha, S Rajasekhar
    International Journal of Current Pharmaceutical Research 14 (4), 28-35 , 2022
    2022.0
  • A system for delivery of nanocarriers towards osteosarcoma and overcoming cancer drug resistance.
    K Bhaskar Reddy, G Mohan Kumar, K Varalakshmi, VD Sundar, ...
    GR Patent A61K 47/30 , 2022
    2022.0