Tomatidine and Patchouli Alcohol as Inhibitors of SARS-CoV-2 Enzymes (3CLpro, PLpro and NSP15) by Molecular Docking and Molecular Dynamics Simulations R Zrieq, I Ahmad, M Snoussi, E Noumi, M Iriti, FD Algahtani, H Patel, ... International Journal of Molecular Sciences 22 (19), 10693, 2021 | 69 | 2021 |
Modeling the anti-Methicillin-Resistant Staphylococcus aureus (MRSA) Activity of (E)-6-chloro-N2-phenyl-N4-(4-Phenyl-5-(Phenyl Diazinyl)-2λ3, 3 λ2- Thiazol-2 … I Benjamin, H Louis, F O. Ekpen, TE Gber, ME Gideon, I Ahmad, ... Polycyclic Aromatic Compounds 43 (9), 7942-7969, 2023 | 57 | 2023 |
An in silico-in vitro antimalarial and antimicrobial investigation of newer 7-chloroquinoline based Schiff-bases MS Tople, NB Patel, PP Patel, AC Purohit, I Ahmad, H Patel Journal of Molecular Structure 1271, 134016, 2023 | 57 | 2023 |
Design, synthesis, molecular modeling, DFT, ADME and biological evaluation studies of some new 1, 3, 4-oxadiazole linked benzimidazoles as anticancer agents and aromatase … U Acar Çevik, I Celik, A Işık, I Ahmad, H Patel, Y Özkay, ZA Kaplancıklı Journal of Biomolecular Structure and Dynamics 41 (5), 1944-1958, 2023 | 56 | 2023 |
Therapeutic outcomes of isatin and its derivatives against multiple diseases: Recent developments in drug discovery RS Cheke, VM Patil, SD Firke, JP Ambhore, IA Ansari, HM Patel, ... Pharmaceuticals 15 (3), 272, 2022 | 49 | 2022 |
Computational investigation of phytochemicals from Withania somnifera (Indian ginseng/ashwagandha) as plausible inhibitors of GluN2B-containing NMDA receptors I Ahmad, D Kumar, H Patel Journal of Biomolecular Structure and Dynamics 40 (17), 7991-8003, 2022 | 48 | 2022 |
Computational identification of 2, 4-disubstituted amino-pyrimidines as L858R/T790M-EGFR double mutant inhibitors using pharmacophore mapping, molecular docking, binding free … R Pawara, I Ahmad, S Surana, H Patel In Silico Pharmacology 9, 1-22, 2021 | 47 | 2021 |
The repurposed ACE2 inhibitors: SARS-CoV-2 entry blockers of Covid-19 I Ahmad, R Pawara, S Surana, H Patel Topics in Current Chemistry 379, 1-49, 2021 | 46 | 2021 |
In vitro and computational investigations of novel synthetic carboxamide-linked pyridopyrrolopyrimidines with potent activity as SARS-CoV-2-M Pro inhibitors A Aljuhani, HEA Ahmed, SK Ihmaid, AM Omar, SS Althagfan, ... RSC Advances 12 (41), 26895-26907, 2022 | 44 | 2022 |
Design, synthesis, molecular docking and molecular dynamics studies of novel triazolothiadiazine derivatives containing furan or thiophene rings as anticancer agents D Osmaniye, Ş Karaca, B Kurban, M Baysal, I Ahmad, H Patel, Y Özkay, ... Bioorganic Chemistry 122, 105709, 2022 | 43 | 2022 |
Potent bioactive compounds from seaweed waste to combat cancer through bioinformatics investigation KK Bharadwaj, I Ahmad, S Pati, A Ghosh, T Sarkar, B Rabha, H Patel, ... Frontiers in nutrition 9, 889276, 2022 | 43 | 2022 |
Design, synthesis, in vitro anticancer and antimicrobial evaluation, SAR analysis, molecular docking and dynamic simulation of new pyrazoles, triazoles and pyridazines based … HA Radwan, I Ahmad, IMM Othman, MAM Gad-Elkareem, H Patel, ... Journal of Molecular Structure 1264, 133312, 2022 | 42 | 2022 |
Molecular modelling and structure-activity relationship of a natural derivative of o-hydroxybenzoate as a potent inhibitor of dual NSP3 and NSP12 of SARS-CoV-2: In silico study YO Ayipo, I Ahmad, YS Najib, SK Sheu, H Patel, MN Mordi Journal of Biomolecular Structure and Dynamics 41 (5), 1959-1977, 2023 | 41 | 2023 |
Phytochemicals from Amberboa ramosa as potential DPP-IV inhibitors for the management of Type-II diabetes mellitus: Inferences from in-silico investigations RK Paul, I Ahmad, H Patel, V Kumar, K Raza Journal of Molecular Structure 1271, 134045, 2023 | 41 | 2023 |
Novel, selective acrylamide linked quinazolines for the treatment of double mutant EGFR-L858R/T790M Non-Small-Cell lung cancer (NSCLC) R Pawara, I Ahmad, D Nayak, S Wagh, A Wadkar, A Ansari, S Belamkar, ... Bioorganic chemistry 115, 105234, 2021 | 41 | 2021 |
Optimizing Bedaquiline for cardiotoxicity by structure based virtual screening, DFT analysis and molecular dynamic simulation studies to identify selective MDR-TB inhibitors RGHP Iqrar Ahmad, Harsha Jadhav, Yashodeep Shinde, Vilas Jagtap In Silico Pharmacology 9, 2021 | 41 | 2021 |
In silico search of triple mutant T790M/C797S allosteric inhibitors to conquer acquired resistance problem in non-small cell lung cancer (NSCLC): a combined … HM Patel, I Ahmad, R Pawara, M Shaikh, S Surana Journal of Biomolecular Structure and Dynamics 39 (4), 1491-1505, 2021 | 41 | 2021 |
p38α MAP kinase inhibitors to overcome EGFR tertiary C797S point mutation associated with osimertinib in non-small cell lung cancer (NSCLC): emergence of fourth-generation EGFR … I Ahmad, M Shaikh, S Surana, A Ghosh, H Patel Journal of Biomolecular Structure and Dynamics 40 (7), 3046-3059, 2022 | 40 | 2022 |
In silico validation of anti-viral drugs obtained from marine sources as a potential target against SARS-CoV-2 Mpro S Ghosh, S Das, I Ahmad, H Patel Journal of the Indian Chemical Society 98 (12), 100272, 2021 | 40 | 2021 |
Synthesis, molecular modeling study, and quantum-chemical-based investigations of isoindoline-1, 3-diones as antimycobacterial agents I Ahmad, RH Pawara, RT Girase, AY Pathan, VR Jagatap, N Desai, ... ACS omega 7 (25), 21820-21844, 2022 | 37 | 2022 |