Pharmaceutical Science, Drug Discovery, General Pharmacology, Toxicology and Pharmaceutics
27
Scopus Publications
450
Scholar Citations
13
Scholar h-index
16
Scholar i10-index
Scopus Publications
Therapeutic Approaches to Treat SARS-CoV-2 Lekhnath Sharma, Neelesh Maheshwari, Nupur Maheshwari, Ghanshyam Teli, Venkatesh Chelvam Chemmedchem, 2026 Severe acute respiratory syndrome coronavirus‐2 (SARS‐CoV‐2), also known as COVID‐19, spread across the globe, leading to a pandemic. Initially, the drug remdesivir is approved by the FDA for the treatment of SARS‐CoV‐2. Significant efforts have been directed toward epidemiology of the SARS‐CoV‐2 virus to discover potential drug targets that may contribute to the development of effective prevention and treatment strategies. The structure and functions of SARS‐CoV‐2 proteins that may be potential drug targets, including the spike protein, main protease, papain‐like protease, RNA‐dependent RNA polymerase, host proteins like angiotensin‐converting enzyme 2, and transmembrane protease and serine 2, have been thoroughly studied. Biological screening platforms and repurposing have resulted in the discovery of drugs such as nirmatrelvir‐ritonavir (Paxlovid), remdesivir (Veklury), molnupiravir (Lagevrio), anakinra (Kineret), vilobelimab (Gohibic), baricitinib (Olumiant), and tocilizumab (Actemra). The present analysis provides details on the pathogenesis, prevention, diagnosis, clinical characteristics, and potential treatment options currently available worldwide.
Design, Synthesis, and Molecular Profiling of Pyrimidine-Furan Derivatives Targeting EGFRWT, EGFRT790M, and EGFRL858R/T790M/C797S in NSCLC: In Vitro and In Silico Evaluation Rohit Pal, Gurubasavaraja Swamy Purawarga Matada, Ghanshyam Teli, Md Jawaid Akhtar, Bhupinder Kumar Chemistry and Biodiversity, 2025 Epidermal growth factor receptor (EGFR) mutations, especially in non–small cell lung cancer (NSCLC), present significant challenges to targeted therapies due to acquired resistance. This study reports the synthesis and evaluation of a series of 4‐(2‐substituted‐6‐(furan‐2‐yl)pyrimidin‐4‐yl)‐substituted phenyl derivatives as potential anticancer agents. The compounds were screened using MTT and brine shrimp lethality assays, identifying R2 , R10 , and R12 as the most potent against NSCLC cell lines, particularly NCI‐H522 and NCI‐H1975. Compound R12 was most potent and selective against NCI‐H522, with an IC 50 value of 0.95 ± 0.02 µM as compared to standard afatinib (IC 50 = 1.86 ± 0.22 µM). EGFR inhibition assays confirmed R12 effectiveness with IC 50 values of 1.62 ± 0.15 µM, 0.49 ± 0.23 µM, and 0.98 ± 0.02 µM against EGFR WT , EGFR T790M , and EGFR L858R/T790M/C797S , respectively. The compound R12 led to the cell cycle arrest in the G2/M and S phase of NCI‐H522 cells with an increase in apoptosis. Molecular docking studies showed R12 high binding affinity (Δ G = −10.2 kcal/mol for EGFR WT ; K i = 32.73 nM) and significant interactions with key amino acids in the active site. Molecular dynamics simulations demonstrated stable protein–ligand interactions with low RMSD (0.17–0.27 nm) and significant eigenvalue (1.706 × 10 −4 ). Compound R12 also exhibited antioxidant properties against DPPH (IC 50 = 12.11 ± 8.96 µM) and H 2 O 2 (IC 50 = 8.89 ± 1.72 µM). Furthermore, DFT analysis and ADMET predictions indicated that R12 possesses favorable physiochemical and pharmacokinetic properties, suggesting high bioavailability and minimal toxicity. These findings emphasize R12 as a promising lead for further preclinical investigation in overcoming EGFR mutations, including the challenging triple mutation.
Integrated Computational and Experimental Insights Into MEK1/2 Inhibitors: Structural Validation, Docking, ADMET, Molecular Dynamics, and Anticancer Evaluation Rohit Pal, Gurubasavaraja Swamy Purawarga Matada, Ghanshyam Teli Chemistry and Biodiversity, 2025 This study explores the therapeutic potential of novel MEK1/2 inhibitors targeting the MAPK pathway, emphasizing their critical role in cancer progression. An integrated computational approach, including molecular docking, pharmacophore modeling, molecular dynamics simulations, and DFT analysis, was employed to evaluate the binding affinity, stability, and pharmacological properties of FDA‐approved and experimental compounds. Structural validation of MEK1 (PDB ID: 1S9J) and MEK2 (PDB ID: 1S9I) revealed z‐scores of −6.89 and −7.13, respectively, with 90.6% and 86.7% of residues in the most favored regions, confirming the reliability of the protein models. Docking studies identified RO5126766 as a lead compound, exhibiting binding energies of −10.1 kcal/mol with MEK1 and −9.5 kcal/mol with MEK2. Molecular dynamics simulations further demonstrated the stability of the RO5126766–MEK1 and RO5126766–MEK2 complexes, with RMSD values ranging from 0.95 to 4.22 Å. The in vitro anticancer assays highlighted the exceptional potency of RO5126766, with IC50 values of 12.87 ± 98.36 nM against MCF‐7 (hormone receptor‐positive breast cancer), 15.08 ± 94.36 nM against MDA‐MB‐231 (triple‐negative breast cancer), and 60.89 ± 70.58 nM against A549 (lung cancer). ADMET analysis confirmed high gastrointestinal absorption, favorable drug‐likeness, and lack of blood‐brain barrier permeability. In addition, DFT studies indicated an optimal HOMO–LUMO energy gap (0.15816 eV), chemical hardness (0.16189 eV), and strong molecular interactions corroborated by MEP analysis. Collectively, these findings establish RO5126766 as a potent and selective MEK1/2 inhibitor, demonstrating significant potential as a targeted therapeutic agent for aggressive and treatment‐resistant cancers.
Repositioning of drugs in non-small cell lung cancer: Old weapons for a new war Drug Repurposing Novel Therapeutic Avenues and Innovations in Healthcare, 2025
Exploring tetrazole chemistry: synthetic techniques, structure–activity relationship, and pharmacological insights in antimicrobial and anticancer therapy Lalmohan Maji, Ghanshyam Teli, Rohit Pal, Neelesh Maheshwari, Praveen Kumar Soni, Gurubasavaraja Swamy Purawarga Matada, Mahendra Singh Rathore, Venkatesan Saravanan, Kathiravan Muthukumaradoss Frontiers in Chemistry, 2025 Tetrazoles are nitrogen-rich heterocycles that have attracted interest because of their numerous applications in pharmaceutical and medicinal chemistry. Four nitrogen atoms and one carbon atom make up these five-membered rings, which have special physicochemical and electrical characteristics, including acidity, resonance stabilization, and aromaticity. This article highlights the structure, spectroscopic characteristics, and physical and chemical characteristics of tetrazoles. It also describes how overlapping mechanisms, such as DNA replication inhibition, protein synthesis disruption, and oxidative stress induction, as well as similar therapeutic targets, enable inhibitors to serve as both antibacterial and anticancer agents. Tetrazole moieties have been fused with a range of pharmacophores, such as indoles, pyrazoles, quinolines, and pyrimidines, yielding fused derivatives that display substantial inhibitory activity against bacterial, fungal, and cancer cell lines, with certain compounds exhibiting efficacy comparable to or exceeding that of established therapeutic agents. The rational design of more efficacious tetrazole-based therapies is facilitated by structure–activity relationship analysis, which further highlights significant functional groups and scaffolds that contribute to increasing activity. We investigate the relationship between microbial inhibition and anticancer efficacy, opening up new avenues for the creation of multifunctional therapeutic agents. We hope that this study will offer significant guidance and serve as a valued resource for medicinal and organic researchers working on drug development and discovery in multifunctional therapeutics. The review involves a thorough investigation of tetrazole in recent years.
Designing Studies in Pharmaceutical and Medicinal Chemistry N. M. Raghavendra, B. R. Prashantha Kumar, Pujan Sasmal, Ghanshyam Teli, Rohit Pal, P. M. Gurubasavaraja Swamy, B. Sajeev Kumar Quintessence of Basic and Clinical Research and Scientific Publishing, 2023
Therapeutic Approaches to Treat SARS‐CoV‐2 L Sharma, N Maheshwari, N Maheshwari, G Teli, V Chelvam ChemMedChem 21 (4), e202500387 , 2026 2026
Design strategies, structural insights, and biological potential of amyloid-beta inhibitors in Alzheimer’s disease M Guleria, A Malhan, G Teli, N Bisht, SK Jain Molecular Diversity 30 (1), 273-298 , 2026 2026 Citations: 1
Exploring tetrazole chemistry: synthetic techniques, structure–activity relationship, and pharmacological insights in antimicrobial and anticancer therapy L Maji, G Teli, R Pal, N Maheshwari, PK Soni, GSP Matada, MS Rathore, ... Frontiers in Chemistry 13, 1700143 , 2025 2025
Design, Synthesis, and Molecular Profiling of Pyrimidine‐Furan Derivatives Targeting EGFR WT , EGFR T790M , and EGFR L858R/T790M/C797S in NSCLC: In Vitro … R Pal, GSP Matada, G Teli, MJ Akhtar, B Kumar Chemistry & Biodiversity 22 (9), e202500549 , 2025 2025 Citations: 1
Integrated computational and experimental insights into MEK1/2 inhibitors: structural validation, docking, ADMET, molecular dynamics, and anticancer evaluation R Pal, GSP Matada, G Teli Chemistry & Biodiversity 22 (7), e202402907 , 2025 2025 Citations: 2
Design, synthesis, and biological evaluation of novel 4-(4-ethoxyphenyl)-6-(substituted-phenyl) pyrimidin-2-amine/thiol/hydroxy derivatives as EGFRWT and EGFRT790M inhibitors … R Pal, GSP Matada, G Teli, V Chawla, PA Chawla Journal of Molecular Structure 1327, 141227 , 2025 2025 Citations: 9
Explanatory review on DDR inhibitors: their biological activity, synthetic route, and structure–activity relationship S Sengupta, L Maji, PK Das, G Teli, M Nag, N Khan, M Haque, ... Molecular Diversity, 1-31 , 2025 2025 Citations: 3
Recent advancements in mechanistic research, therapeutic potential, and structure-activity relationships of aurora kinase inhibitors in cancer therapies G Teli, L Maji, R Pal, N Maheshwari, GSP Matada, PA Chawla, V Chawla Bioorganic Chemistry 154, 107976 , 2025 2025 Citations: 7
An outlook of docking analysis and structure-activity relationship of pyrimidine-based analogues as EGFR inhibitors against non-small cell lung cancer (NSCLC) R Pal, G Teli, S Sengupta, L Maji, GS Purawarga Matada Journal of Biomolecular Structure and Dynamics 42 (18), 9795-9811 , 2024 2024 Citations: 32
Medicinal chemistry perspective of JAK inhibitors: synthesis, biological profile, selectivity, and structure activity relationship L Maji, S Sengupta, GS Purawarga Matada, G Teli, G Biswas, PK Das, ... Molecular Diversity 28 (6), 4467-4513 , 2024 2024 Citations: 13
Therapeutic potential of anticancer activity of nitrogen-containing heterocyclic scaffolds as Janus kinase (JAK) inhibitor: Biological activity, selectivity, and structure … R Pal, GSP Matada, G Teli, M Saha, R Patel Bioorganic Chemistry 152, 107696 , 2024 2024 Citations: 21
An updated literature on BRAF inhibitors (2018–2023) L Maji, G Teli, NM Raghavendra, S Sengupta, R Pal, A Ghara, ... Molecular Diversity 28 (4), 2689-2730 , 2024 2024 Citations: 25
Explanatory review on pyrimidine/fused pyrimidine derivatives as anticancer agents targeting Src kinase G Teli, R Pal, L Maji, GS Purawarga Matada, S Sengupta Journal of Biomolecular Structure and Dynamics 42 (3), 1582-1614 , 2024 2024 Citations: 12
Synthetic product-based approach toward potential antileishmanial drug development R Pal, G Teli, MJ Akhtar, GSP Matada European Journal of Medicinal Chemistry 263, 115927 , 2024 2024 Citations: 31
Designing strategies, structural activity relationship and biological activity of recently developed nitrogen containing heterocyclic compounds as epidermal growth factor … R Pal, G Teli, GSP Matada, PS Dhiwar Journal of Molecular Structure 1291, 136021 , 2023 2023 Citations: 59
The role of natural anti-parasitic guided development of synthetic drugs for leishmaniasis R Pal, G Teli, MJ Akhtar, GSP Matada European Journal of Medicinal Chemistry 258, 115609 , 2023 2023 Citations: 30
Designing studies in pharmaceutical and medicinal chemistry NM Raghavendra, BRP Kumar, P Sasmal, G Teli, R Pal, ... The Quintessence of Basic and Clinical Research and Scientific Publishing … , 2023 2023 Citations: 5
Medicinal Chemistry Perspectives on Recent Advances in Src Kinase Inhibitors as a Potential Target for the Development of Anticancer Agents: Biological Profile, Selectivity … G Teli, R Pal, L Maji, S Sengupta, NM Raghavendra, GSP Matada Chemistry & Biodiversity 20 (9), e202300515 , 2023 2023 Citations: 16
Exploring the Potential of Substituted 4-Thiazolidinone Derivatives in the Treatment of Breast Cancer: Synthesis, Biological Screening and In Silico Studies G Teli, P Sharma, PA Chawla Polycyclic Aromatic Compounds 43 (7), 6202-6234 , 2023 2023 Citations: 15
Nitrogen‐containing heterocyclic scaffolds as EGFR inhibitors: design approaches, molecular docking, and structure‐activity relationships R Pal, G Teli, G Swamy Purawarga Matada, P Sanjay Dhiwar ChemistrySelect 8 (26), e202301200 , 2023 2023 Citations: 22
MOST CITED SCHOLAR PUBLICATIONS
Designing strategies, structural activity relationship and biological activity of recently developed nitrogen containing heterocyclic compounds as epidermal growth factor … R Pal, G Teli, GSP Matada, PS Dhiwar Journal of Molecular Structure 1291, 136021 , 2023 2023 Citations: 59
Hybridization of imidazole with various heterocycles in targeting cancer: a decade's work G Teli, PA Chawla ChemistrySelect 6 (19), 4803-4836 , 2021 2021 Citations: 40
Exploration of antioxidant, anti-inflammatory and anticancer potential of substituted 4-thiazolidinone derivatives: synthesis, biological evaluation and docking studies Archna, PA Chawla, G Teli, S Pathania, S Singh, V Srivastava Polycyclic Aromatic Compounds 43 (1), 597-618 , 2023 2023 Citations: 36
An insight into synthetic strategies and recent developments of dihydrofolate reductase inhibitors P Chawla, G Teli, RK Gill, RK Narang ChemistrySelect 6 (43), 12101-12145 , 2021 2021 Citations: 35
An outlook of docking analysis and structure-activity relationship of pyrimidine-based analogues as EGFR inhibitors against non-small cell lung cancer (NSCLC) R Pal, G Teli, S Sengupta, L Maji, GS Purawarga Matada Journal of Biomolecular Structure and Dynamics 42 (18), 9795-9811 , 2024 2024 Citations: 32
Synthetic product-based approach toward potential antileishmanial drug development R Pal, G Teli, MJ Akhtar, GSP Matada European Journal of Medicinal Chemistry 263, 115927 , 2024 2024 Citations: 31
The role of natural anti-parasitic guided development of synthetic drugs for leishmaniasis R Pal, G Teli, MJ Akhtar, GSP Matada European Journal of Medicinal Chemistry 258, 115609 , 2023 2023 Citations: 30
An updated literature on BRAF inhibitors (2018–2023) L Maji, G Teli, NM Raghavendra, S Sengupta, R Pal, A Ghara, ... Molecular Diversity 28 (4), 2689-2730 , 2024 2024 Citations: 25
Nitrogen‐containing heterocyclic scaffolds as EGFR inhibitors: design approaches, molecular docking, and structure‐activity relationships R Pal, G Teli, G Swamy Purawarga Matada, P Sanjay Dhiwar ChemistrySelect 8 (26), e202301200 , 2023 2023 Citations: 22
Therapeutic potential of anticancer activity of nitrogen-containing heterocyclic scaffolds as Janus kinase (JAK) inhibitor: Biological activity, selectivity, and structure … R Pal, GSP Matada, G Teli, M Saha, R Patel Bioorganic Chemistry 152, 107696 , 2024 2024 Citations: 21
Medicinal Chemistry Perspectives on Recent Advances in Src Kinase Inhibitors as a Potential Target for the Development of Anticancer Agents: Biological Profile, Selectivity … G Teli, R Pal, L Maji, S Sengupta, NM Raghavendra, GSP Matada Chemistry & Biodiversity 20 (9), e202300515 , 2023 2023 Citations: 16
Exploring the Potential of Substituted 4-Thiazolidinone Derivatives in the Treatment of Breast Cancer: Synthesis, Biological Screening and In Silico Studies G Teli, P Sharma, PA Chawla Polycyclic Aromatic Compounds 43 (7), 6202-6234 , 2023 2023 Citations: 15
Nano-biosensors from agriculture to Nextgen diagnostic tools D Sharma, G Teli, K Gupta, G Bansal, GD Gupta, PA Chawla Current Nanomaterials 7 (2), 110-138 , 2022 2022 Citations: 15
Medicinal chemistry perspective of JAK inhibitors: synthesis, biological profile, selectivity, and structure activity relationship L Maji, S Sengupta, GS Purawarga Matada, G Teli, G Biswas, PK Das, ... Molecular Diversity 28 (6), 4467-4513 , 2024 2024 Citations: 13
< p style= R Pal, G Teli, B Sharma, B Kumar, PA Chawla Pharmaspire 13, 21-27 , 2021 2021 Citations: 13
Explanatory review on pyrimidine/fused pyrimidine derivatives as anticancer agents targeting Src kinase G Teli, R Pal, L Maji, GS Purawarga Matada, S Sengupta Journal of Biomolecular Structure and Dynamics 42 (3), 1582-1614 , 2024 2024 Citations: 12
Design, synthesis, and biological evaluation of novel 4-(4-ethoxyphenyl)-6-(substituted-phenyl) pyrimidin-2-amine/thiol/hydroxy derivatives as EGFRWT and EGFRT790M inhibitors … R Pal, GSP Matada, G Teli, V Chawla, PA Chawla Journal of Molecular Structure 1327, 141227 , 2025 2025 Citations: 9
Recent advancements in mechanistic research, therapeutic potential, and structure-activity relationships of aurora kinase inhibitors in cancer therapies G Teli, L Maji, R Pal, N Maheshwari, GSP Matada, PA Chawla, V Chawla Bioorganic Chemistry 154, 107976 , 2025 2025 Citations: 7
Nitrogen-containing heterocyclic derivatives of 1, 3-thiazolidine-2, 4-diones as Dual Anti-inflammatory and anti-oxidant agents and their docking studies P Srivastava, G Teli, PA Chawla Letters in Drug Design & Discovery 20 (7), 894-915 , 2023 2023 Citations: 7
Designing studies in pharmaceutical and medicinal chemistry NM Raghavendra, BRP Kumar, P Sasmal, G Teli, R Pal, ... The Quintessence of Basic and Clinical Research and Scientific Publishing … , 2023 2023 Citations: 5