| Identification of potential inhibitors of calcium/calmodulin‐dependent protein kinase IV from bioactive phytoconstituents P Gupta, S Khan, Z Fakhar, A Hussain, MT Rehman, MF AlAjmi, A Islam, ... Oxidative Medicine and Cellular Longevity 2020 (1), 2094635, 2020 | 54 | 2020 |
| Computational model for the acylation step of the β-lactam ring: Potential application for l, d-transpeptidase 2 in mycobacterium tuberculosis Z Fakhar, T Govender, G Lamichhane, GEM Maguire, HG Kruger, ... Journal of Molecular Structure 1128, 94-102, 2017 | 53 | 2017 |
| Anthocyanin derivatives as potent inhibitors of SARS-CoV-2 main protease: An in-silico perspective of therapeutic targets against COVID-19 pandemic Z Fakhar, B Faramarzi, S Pacifico, S Faramarzi Journal of Biomolecular Structure and Dynamics 39 (16), 6171-6183, 2021 | 51 | 2021 |
| Structure-based identification of potential SARS-CoV-2 main protease inhibitors S Khan, Z Fakhar, A Hussain, A Ahmad, DS Jairajpuri, MF Alajmi, ... Journal of Biomolecular Structure and Dynamics 40 (8), 3595-3608, 2022 | 48 | 2022 |
| ABBV-744 as a potential inhibitor of SARS-CoV-2 main protease enzyme against COVID-19 Z Fakhar, S Khan, SY AlOmar, A Alkhuriji, A Ahmad Scientific reports 11 (1), 234, 2021 | 41 | 2021 |
| Differential flap dynamics in l, d-transpeptidase2 from mycobacterium tuberculosis revealed by molecular dynamics Z Fakhar, T Govender, GEM Maguire, G Lamichhane, RC Walker, ... Molecular Biosystems 13 (6), 1223-1234, 2017 | 40 | 2017 |
| A comparative modeling and molecular docking study on Mycobacterium tuberculosis targets involved in peptidoglycan biosynthesis Z Fakhar, S Naiker, CN Alves, T Govender, GEM Maguire, J Lameira, ... Journal of Biomolecular Structure and Dynamics 34 (11), 2399-2417, 2016 | 27 | 2016 |
| Molecular insight on the non-covalent interactions between carbapenems and l,d-transpeptidase 2 from Mycobacterium tuberculosis: ONIOM study T Ntombela, Z Fakhar, CU Ibeji, T Govender, GEM Maguire, ... Journal of computer-aided molecular design 32, 687-701, 2018 | 11 | 2018 |
| Discovery of novel heterocyclic amide-based inhibitors: an integrative in-silico approach to targeting soluble epoxide hydrolase Z Fakhar, L Hejazi, SA Tabatabai, OQ Munro Journal of Biomolecular Structure and Dynamics 40 (15), 7114-7128, 2022 | 9 | 2022 |
| Targeting ebola virus VP40 protein through novel inhibitors: exploring the structural and dynamic perspectives on molecular landscapes S Khan, Z Fakhar, A Ahmad Journal of Molecular Modeling 27, 1-11, 2021 | 9 | 2021 |
| Dielectric study of molecular association of polar–polar binary mixtures (Benzyl alcohol+ Aliphatic alcohols) at 298.2 K Z Fakhar, A Ghanadzadeh, B Honarparvar Journal of the Iranian Chemical Society 12, 1363-1368, 2015 | 7 | 2015 |
| Evaluation of antibacterial, cytotoxicity, and apoptosis activity of novel chromene-sulfonamide hybrids synthesized under solvent-free conditions and 3D-QSAR modeling studies S Ghomashi, R Ghomashi, MS Damavandi, Z Fakhar, SY Mousavi, ... Scientific Reports 14 (1), 12878, 2024 | 4 | 2024 |
| Computational evaluation and benchmark study of 342 crystallographic holo-structures of SARS-CoV-2 Mpro enzyme H Khachatryan, M Matevosyan, V Harutyunyan, S Gevorgyan, A Shavina, ... Scientific Reports 14 (1), 14255, 2024 | 3 | 2024 |
| Revealing key structural features for developing new agonists targeting δ opioid receptor: Combined machine learning and molecular modeling perspective Z Fakhar, A Hosseinpouran, OQ Munro, S Sarmadi, S Gharaghani Medicine in Drug Discovery 21, 100176, 2024 | 2 | 2024 |
| A molecular generative model of COVID-19 main protease inhibitors using long short-term memory-based recurrent neural network A Mehrzadi, E Rezaee, S Gharaghani, Z Fakhar, SM Mirhosseini Journal of Computational Biology 31 (1), 83-98, 2024 | 2 | 2024 |
| Investigating the antituberculosis activity of selected commercial essential oils and identification of active constituents using a biochemometrics approach and in silico modeling KJ Boussamba-Digombou, M Sandasi, GP Kamatou, S van Vuuren, ... Antibiotics 11 (7), 948, 2022 | 2 | 2022 |
| Author Correction: ABBV-744 as a potential inhibitor of SARS-CoV-2 main protease enzyme against COVID-19 Z Fakhar, S Khan, SY AlOmar, A Alkhuriji, A Ahmad Scientific Reports 14, 24370, 2024 | | 2024 |
| Synthesis, Docking Study and Biological Evaluation of Amide‐Based Soluble Epoxide Hydrolase Inhibitors with Novel Secondary Pharmacophore of Pyrimidin‐2‐ol L Hejazi, A Ebadi, Z Fakhar, M Nazari, E Rezaee, S Abbas Tabatabai Chemistry & Biodiversity 19 (11), e202200231, 2022 | | 2022 |
Shama KhanBioinformatics Scientist, WITS-VIDAwits-vida.org üzerinde doğrulanmış e-posta adresine sahip