| Design and synthesis of oxazepine derivatives from sulfonamide Schiff bases as antimicrobial and antioxidant agents with low cytotoxicity and hemolytic prospective SA Hassan, DM Aziz, MN Abdullah, AR Bhat, RS Dongre, S Ahmed, ... Journal of Molecular Structure 1292, 136121, 2023 | 56 | 2023 |
| In vitro and in vivo evaluation of the antimicrobial, antioxidant, cytotoxic, hemolytic activities and in silico POM/DFT/DNA-binding and pharmacokinetic analyses of … SA Hassan, DM Aziz, MN Abdullah, AR Bhat, RS Dongre, TB Hadda, ... Journal of Biomolecular Structure and Dynamics 42 (7), 3747-3763, 2024 | 46 | 2024 |
| Molecular docking, ADME-Tox, DFT and molecular dynamics simulation of butyroyl glucopyranoside derivatives against DNA gyrase inhibitors as antimicrobial agents N Akter, L Bourougaa, M Ouassaf, RC Bhowmic, KM Uddin, AR Bhat, ... Journal of Molecular Structure 1307, 137930, 2024 | 23 | 2024 |
| Nucleoside‐based drug target with general antimicrobial screening and specific computational studies against SARS‐CoV‐2 main protease SMA Kawsar, MA Hossain, S Saha, EM Abdallah, AR Bhat, S Ahmed, ... ChemistrySelect 9 (15), e202304774, 2024 | 20 | 2024 |
| Efficient synthesis, crystallography study, antibacterial/antifungal activities, DFT/ADMET studies and molecular docking of novel α-aminophosphonates R Bahadi, M Berredjem, C Benzaid, F Bouchareb, A Dekir, ML Djendi, ... Journal of Molecular Structure 1289, 135849, 2023 | 20 | 2023 |
| Green synthesis, antibacterial and antifungal evaluation of new thiazolidine-2, 4-dione derivatives: molecular dynamic simulation, POM study and identification of antitumor … S Ahmed, AR Bhat, AK Rahiman, RS Dongre, AH Hasan, V Niranjan, ... Journal of Biomolecular Structure and Dynamics 42 (20), 10635-10651, 2024 | 19 | 2024 |
| Heteroleptic silver(I), nickel(II), and copper(II) complexes of N4‐substituted thiosemicarbazones and ciprofloxacin: Theoretical, in vitro anti‐proliferative, and in silico … S Ahmed, MA Jayathuna, D Mahendiran, S Bharathi, A Kalilur Rahiman Applied Organometallic Chemistry 36 (8), e6782, 2022 | 13 | 2022 |
| In vitro anti-microbial, DNA-binding, In silico pharmacokinetics and molecular docking studies of Schiff-based Cu (II), Zn (II) and Pd (II) complexes A Kumar, S Ahmed, M Bhardwaj, S Imtiaz, D Kumar, AR Bhat, B Sood, ... Journal of Molecular Structure 1315, 138695, 2024 | 12 | 2024 |
| Ferrocenylimine-based homoleptic metal (II) complexes: Theoretical, biocompatibility, in vitro anti-proliferative, and in silico molecular docking and pharmacokinetics studies MA Jayathuna, S Ahmed, YG Kim, M Gajendiran, K Kim, AK Rahiman Journal of Molecular Structure 1250, 131905, 2022 | 12 | 2022 |
| Theoretical, in Vitro Antiproliferative, and in Silico Molecular Docking and Pharmacokinetics Studies of Heteroleptic Nickel(II) and Copper(II) Complexes of … S Ahmed, D Mahendiran, AR Bhat, AK Rahiman Chemistry & Biodiversity 20 (9), e202300702, 2023 | 8 | 2023 |
| In vitro anti-proliferative, and in silico ribonucleotide reductase and pharmacokinetics studies of heteroleptic silver (I), nickel (II) and copper (II) complexes of 4-methyl-3 … S Bharathi, D Mahendiran, S Ahmed, AK Rahiman Journal of Trace Elements in Medicine and Biology 79, 127211, 2023 | 8 | 2023 |
| Acylated glucopyranosides: FTIR, NMR, FMO, MEP, molecular docking, dynamics simulation, ADMET and antimicrobial activity against bacterial and fungal pathogens N Akter, S Saha, MA Hossain, KM Uddin, AR Bhat, S Ahmed, ... Chemical Physics Impact 9, 100700, 2024 | 7 | 2024 |
| Synthesis, antimicrobial, and in silico studies of C5′-O-substituted cytidine derivatives: cinnamoylation leads to improvement of antimicrobial activity TS Bhuiyan, MA Said, MZH Bulbul, S Ahmed, AR Bhat, M Chalkha, ... Nucleosides, Nucleotides & Nucleic Acids 43 (12), 1472-1510, 2024 | 7 | 2024 |
| Investigation of antimicrobial potential of nanocomposites based on functionalization of graphene oxide with zinc porphyrin complexes R Yasmeen, S Ahmed, AR Bhat, GD Bajju, HN Sheikh Inorganica Chimica Acta 569, 122155, 2024 | 6 | 2024 |
| Computational Chemistry: Prediction of Compound Accessibility of Targeted Synthesized Compounds. V Babu, S Ahmed, AK Rahiman, SMA Kawsar, M Berredjem, AR Bhat, ... Medicinal Chemistry (Shariqah (United Arab Emirates)), 2024 | 4 | 2024 |
| A review on the role of nanoparticles for targeted brain drug delivery: synthesis, characterization, and applications PN Mohammed, NH Hussen, AH Hasan, HJH Salh, J Jamalis, S Ahmed, ... EXCLI journal 24, 34, 2025 | 2 | 2025 |
| A safe and new strategy for N-arylation of 2,4-thiazolidinediones via microwave irradiation using base catalyst K2CO3 in DMF SMAKARB Ragini C. Patil, Nita M. Khiratkar, Sumeer Ahmed, Joazaizulfazli ... Reaction Chemistry And Engineering, -, 2024 | 2 | 2024 |
| Design, synthesis and antibacterial activity of new Isatin-based Schiff base derivatives: Molecular docking, POM analysis, in silico pharmacokinetics and identification of … P Meshram, R Dongre, M Ahmed, S Ahmed, R Gajendhiran, ... Journal of Molecular Structure 1322, 140508, 2025 | 1 | 2025 |
| Discovery of new molecular hybrid derivatives with coumarin scaffold bearing pyrazole/oxadiazole moieties: Molecular docking, POM analyses, in silico pharmacokinetics and in … G Tataringa, C Tuchilus, M Ahmed, S Ahmed, AR Bhat, TB Hadda, ... Bioorganic Chemistry 153, 107761, 2024 | 1 | 2024 |
| Design, Synthesis, and Biological Evaluation of Benzo [d] oxazole-2-thio and Oxazolo [4, 5-b] pyridine-2-thio Derivatives: Molecular Docking, POM Analysis, In Silico … PB Gour, S Ahmed, R Gajendhiran, A KalilurRahiman, M Ahmed, ... Journal of Molecular Structure, 141705, 2025 | | 2025 |
A. Kalilur RahimanAssociate Professor of ChemistryVerifisert e-postadresse på thenewcollege.edu.in