| Using integrated computational approaches to identify safe and rapid treatment for SARS-CoV-2 K Al-Khafaji, D Al-Duhaidahawi, T Taskin Tok Journal of Biomolecular Structure and Dynamics 39 (9), 3387-3395, 2021 | 139 | 2021 |
| Molecular dynamics simulation, free energy landscape and binding free energy computations in exploration the anti-invasive activity of amygdalin against metastasis K Al-Khafaji, TT Tok Computer Methods and Programs in Biomedicine 195, 105660, 2020 | 54 | 2020 |
| Combination of QSAR, molecular docking, molecular dynamic simulation and MM-PBSA: analogues of lopinavir and favipiravir as potential drug candidates against COVID-19 MO Rafi, G Bhattacharje, K Al-Khafaji, T Taskin-Tok, MA Alfasane, AK Das, ... Journal of Biomolecular Structure and Dynamics 40 (8), 3711-3730, 2022 | 53 | 2022 |
| Diterpenes/diterpenoids and their derivatives as potential bioactive leads against dengue virus: a computational and network pharmacology study RA Khan, R Hossain, A Siyadatpanah, K Al-Khafaji, ABR Khalipha, D Dey, ... Molecules 26 (22), 6821, 2021 | 34 | 2021 |
| Identification of naphthyridine and quinoline derivatives as potential Nsp16-Nsp10 inhibitors: a pharmacoinformatics study BJM Aldahham, K Al-Khafaji, MY Saleh, AM Abdelhakem, AM Alanazi, ... Journal of Biomolecular Structure and Dynamics 40 (9), 3899-3906, 2022 | 33 | 2022 |
| Amygdalin as Multi-Target Anticancer Drug against Targets of Cell Division Cycle: Double Docking and Molecular Dynamics Simulation K Al-Khafaji, T Taskin Tok Journal of Biomolecular Structure and Dynamics, 2020 | 26 | 2020 |
| Synthesis, inhibition properties against xanthine oxidase and molecular docking studies of dimethyl N-benzyl-1H-1, 2, 3-triazole-4, 5-dicarboxylate and (N-benzyl-1H-1, 2, 3 … G Yagiz, SAA Noma, A Altundas, K Al-Khafaji, T Taskin-Tok, B Ates Bioorganic Chemistry 108, 104654, 2021 | 24 | 2021 |
| Anxiolytic-like effect of quercetin possibly through GABA receptor interaction pathway: In vivo and in silico studies MS Islam, R Hossain, T Ahmed, MM Rahaman, K Al-Khafaji, RA Khan, ... Molecules 27 (21), 7149, 2022 | 23 | 2022 |
| Quercetin and/or Ascorbic Acid Modulatory Effect on Phenobarbital-Induced Sleeping Mice Possibly through GABAA and GABAB Receptor Interaction Pathway R Hossain, K Al-Khafaji, RA Khan, C Sarkar, MS Islam, D Dey, D Jain, ... Pharmaceuticals 14 (8), 721, 2021 | 22 | 2021 |
| Recognizing novel drugs against Keap1 in Alzheimer’s disease using machine learning grounded computational studies N Mukerjee, K Al-Khafaji, S Maitra, J Suhail Wadi, P Sachdeva, A Ghosh, ... Frontiers in Molecular Neuroscience, 638, 2022 | 19 | 2022 |
| In silico evaluation of different flavonoids from medicinal plants for their potency against SARS-CoV-2 HRA El-Mageed, DA Abdelrheem, MO Rafi, MT Sarker, K Al-Khafaji, ... Biologics 1 (3), 416-434, 2021 | 19 | 2021 |
| Design of a multi-epitope vaccine against SARS-CoV-2: immunoinformatic and computational methods MO Rafi, K Al-Khafaji, MT Sarker, T Taskin-Tok, AS Rana, MS Rahman RSC advances 12 (7), 4288-4310, 2022 | 18 | 2022 |
| Understanding the mechanism of amygdalin’s multifunctional anti-cancer action using computational approach K Al-Khafaji, T Taskin Tok Journal of Biomolecular Structure and Dynamics 39 (5), 1600-1610, 2021 | 18 | 2021 |
| Amentoflavone, new hope against SARS-CoV-2: an outlook through its scientific records and an in silico study R Hossain, MT Islam, P Ray, D Jain, ASM Saikat, L Nahar, AD Talukdar, ... Pharmacognosy Research 13 (3), 2021 | 14 | 2021 |
| The (NHC)PdBr2(2-aminopyridine) complexes: synthesis, characterization, molecular docking study, and inhibitor effects on the human serum carbonic anhydrase … F Türker, SAA Noma, A Aktaş, K Al-Khafaji, T Taşkın Tok, B Ateş, Y Gök Monatshefte für Chemie-Chemical Monthly 151, 1557-1567, 2020 | 14 | 2020 |
| Computer-based identification of potential compounds from Salviae miltiorrhizae against Neirisaral adhesion A regulatory protein MO Rafi, K Al-Khafaji, TT Tok, MS Rahman Journal of Biomolecular Structure and Dynamics 40 (10), 4301-4313, 2022 | 11 | 2022 |
| Synthesis, anti-inflammatory effects, molecular docking and molecular dynamics studies of 4-hydroxy coumarin derivatives as inhibitors of COX-II enzyme ALD Dunya, HFS AL-Zubaidy, K Al-Khafaji, A Al-Amiery Journal of Molecular Structure 1247, 131377, 2022 | 10 | 2022 |
| GC–MS analysis, and evaluation of protective effect of Piper chaba stem bark against paracetamol-induced liver damage in Sprague-Dawley rats: Possible defensive mechanism by … C Sarkar, M Mondal, K Al-Khafaji, DM El-Kersh, S Jamaddar, P Ray, ... Life Sciences 309, 121044, 2022 | 9 | 2022 |
| Phytochemical constituents of Inula britannica as potential inhibitors of dihydrofolate reductase: A strategic approach against shigellosis S Jose, SS Devi, S P, K Al-Khafaji Journal of Biomolecular Structure and Dynamics 40 (22), 11932-11947, 2022 | 7 | 2022 |
| Investigation of berberine and its derivatives in Sars Cov-2 main protease structure by molecular docking, PROTOX-II and ADMET methods: in machine learning and in silico study E Oner, K Al-Khafaji, MH Mezher, I Demirhan, J Suhail Wadi, ... Journal of Biomolecular Structure and Dynamics 41 (19), 9366-9381, 2023 | 6 | 2023 |
Tugba Taskin-TokGaziantep UniversityVerified email at gantep.edu.tr
