Arif Ali
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Marine natural compounds as potents inhibitors against the main protease of SARS-CoV-2—a molecular dynamic study
MT Khan, A Ali, Q Wang, M Irfan, A Khan, MT Zeb, YJ Zhang, ...
Journal of Biomolecular Structure and Dynamics 39 (10), 3627-3637, 2020
Combined drug repurposing and virtual screening strategies with molecular dynamics simulation identified potent inhibitors for SARS-CoV-2 main protease (3CLpro)
A Khan, SS Ali, MT Khan, S Saleem, A Ali, M Suleman, Z Babar, A Shafiq, ...
Journal of Biomolecular Structure and Dynamics 39 (13), 4659-4670, 2021
Phylogenetic analysis and structural perspectives of RNA-dependent RNA-polymerase inhibition from SARs-CoV-2 with natural products
A Khan, M Khan, S Saleem, Z Babar, A Ali, AA Khan, Z Sardar, ...
Interdisciplinary Sciences: Computational Life Sciences 12, 335-348, 2020
Structural insights into the mechanism of RNA recognition by the N-terminal RNA-binding domain of the SARS-CoV-2 nucleocapsid phosphoprotein
A Khan, MT Khan, S Saleem, M Junaid, A Ali, SS Ali, M Khan, DQ Wei
Computational and structural biotechnology journal 18, 2174-2184, 2020
Computational identification, characterization and validation of potential antigenic peptide vaccines from hrHPVs E6 proteins using immunoinformatics and computational systems …
A Khan, M Junaid, AC Kaushik, A Ali, SS Ali, A Mehmood, DQ Wei
PloS one 13 (5), e0196484, 2018
Immunoinformatic and systems biology approaches to predict and validate peptide vaccines against Epstein–Barr virus (EBV)
A Ali, A Khan, AC Kaushik, Y Wang, SS Ali, M Junaid, S Saleem, ...
Scientific reports 9 (1), 720, 2019
Network pharmacology: exploring the resources and methodologies
J Muhammad, A Khan, A Ali, L Fang, W Yanjing, Q Xu, DQ Wei
Current topics in medicinal chemistry 18 (12), 949-964, 2018
Structures of SARS-CoV-2 RNA-binding proteins and therapeutic targets
MT Khan, M Irfan, H Ahsan, A Ahmed, AC Kaushik, AS Khan, ...
Intervirology 64 (2), 55-68, 2021
SARS-CoV-2 nucleocapsid and Nsp3 binding: an in silico study
MT Khan, MT Zeb, H Ahsan, A Ahmed, A Ali, K Akhtar, SI Malik, Z Cui, ...
Archives of microbiology 203, 59-66, 2021
Structural-dynamic insights into the H. pylori cytotoxin-associated gene A (CagA) and its abrogation to interact with the tumor suppressor protein ASPP2 using decoy peptides
M Junaid, M Shah, A Khan, CD Li, MT Khan, AC Kaushik, A Ali, ...
Journal of Biomolecular Structure and Dynamics, 2018
Evaluation and validation of synergistic effects of amyloid-beta inhibitor–gold nanoparticles complex on Alzheimer’s disease using deep neural network approach
AC Kaushik, A Kumar, Z Peng, A Khan, M Junaid, A Ali, S Bharadwaj, ...
Journal of Materials Research 34 (11), 1845-1853, 2019
Identification of novel drug targets for diamond-blackfan anemia based on RPS19 gene mutation using protein-protein interaction network
A Khan, A Ali, M Junaid, C Liu, AC Kaushik, WCS Cho, DQ Wei
BMC Systems Biology 12, 5-16, 2018
Structural insights of catalytic mechanism in mutant pyrazinamidase of Mycobacterium tuberculosis
M Junaid, CD Li, J Li, A Khan, SS Ali, SB Jamal, S Saud, A Ali, DQ Wei
Journal of Biomolecular Structure and Dynamics 39 (9), 3172-3185, 2021
Helix-switch enables C99 dimer transition between the multiple conformations
CD Li, M Junaid, H Chen, A Ali, DQ Wei
Journal of Chemical Information and Modeling 59 (1), 339-350, 2018
In-vitro analysis of selective nutraceuticals binding to human transcription factors through computer aided molecular docking predictions
M Teimouri, M Junaid, S Saleem, A Khan, A Ali
Bioinformation 12 (7), 354, 2016
Pyrazinamide resistance of novel mutations in pncA and their dynamic behavior
A Ali, MT Khan, A Khan, S Ali, S Chinnasamy, K Akhtar, A Shafiq, DQ Wei
RSC advances 10 (58), 35565-35573, 2020
Identification of Novel Therapeutic Targets in Myelodysplastic Syndrome Using Protein-Protein Interaction Approach and Neural Networks
DQW Arif Ali, Muhammad Junaid, Abbas Khan, Aman Chandra Kaushik, Aamir ...
Journal of Computer Science and System Biology 11 (1), 184-189, 2018
Zinc Ortho Methyl Carbonodithioate Improved Pre and Post-Synapse Memory Impairment via SIRT1/p-JNK Pathway against Scopolamine in Adult Mice
R Jahan, M Yousaf, H Khan, SA Shah, AA Khan, N Bibi, F Javed, M Ijaz, ...
Journal of Neuroimmune Pharmacology, 1-12, 2023
Inhibitory effect of thymoquinone from Nigella sativa against SARS-CoV-2 main protease. An in-silico study
MT Khan, A Ali, X Wei, T Nadeem, S Muhammad, AG Al-Sehemi, D Wei
Brazilian Journal of Biology 84, e250667, 2022
Decoding the structure of RNA-dependent RNA-polymerase (RdRp), understanding the ancestral relationship and dispersion pattern of 2019 Wuhan Coronavirus
A Khan, M Khan, S Saleem, Z Babar, A Ali, AA Khan, Z Sardar, ...
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