Ali W - Search Results

1

Long-range replica exchange molecular dynamics guided drug repurposing against tyrosine kinase PtkA of Mycobacterium tuberculosis.

Nagpal P, Jamal S, Singh H, Ali W, Tanweer S, Sharma R, Grover A, Grover S. Nagpal P, et al. Among authors: ali w. Sci Rep. 2020 Mar 10;10(1):4413. doi: 10.1038/s41598-020-61132-w. Sci Rep. 2020. PMID: 32157138 Free PMC article.

2

Computational models for the prediction of adverse cardiovascular drug reactions.

Jamal S, Ali W, Nagpal P, Grover S, Grover A. Jamal S, et al. Among authors: ali w. J Transl Med. 2019 May 22;17(1):171. doi: 10.1186/s12967-019-1918-z. J Transl Med. 2019. PMID: 31118067 Free PMC article.

3

Computational modeling and bioinformatic analyses of functional mutations in drug target genes in Mycobacterium tuberculosis.

Singh P, Jamal S, Ahmed F, Saqib N, Mehra S, Ali W, Roy D, Ehtesham NZ, Hasnain SE. Singh P, et al. Among authors: ali w. Comput Struct Biotechnol J. 2021 Apr 19;19:2423-2446. doi: 10.1016/j.csbj.2021.04.034. eCollection 2021. Comput Struct Biotechnol J. 2021. PMID: 34025934 Free PMC article.

4

Predicting phosphorylation sites using machine learning by integrating the sequence, structure, and functional information of proteins.

Jamal S, Ali W, Nagpal P, Grover A, Grover S. Jamal S, et al. Among authors: ali w. J Transl Med. 2021 May 24;19(1):218. doi: 10.1186/s12967-021-02851-0. J Transl Med. 2021. PMID: 34030700 Free PMC article.

5

Insights into the mutations leading to capreomycin resistance in S-adenosyl-L-methionine binding motif in TlyA from Mycobacterium tuberculosis.

Ali W, Jamal S, Grover A, Grover S. Ali W, et al. J Biomol Struct Dyn. 2022;40(22):12239-12247. doi: 10.1080/07391102.2021.1969284. Epub 2021 Aug 31. J Biomol Struct Dyn. 2022. PMID: 34463210

6

Targeting of essential mycobacterial replication enzyme DnaG primase revealed Mitoxantrone and Vapreotide as novel mycobacterial growth inhibitors.

Ali W, Jamal S, Gangwar R, Ahmed F, Sharma R, Agarwal M, Sheikh JA, Grover A, Grover S. Ali W, et al. Mol Inform. 2024 Mar;43(3):e202300284. doi: 10.1002/minf.202300284. Epub 2024 Feb 6. Mol Inform. 2024. PMID: 38123523

7

Unravelling the potential of Triflusal as an anti-TB repurposed drug by targeting replication protein DciA.

Ali W, Jamal S, Gangwar R, Ahmed F, Pahuja I, Sharma R, Prakash Dwivedi V, Agarwal M, Grover S. Ali W, et al. Microbes Infect. 2024 Mar-Apr;26(3):105284. doi: 10.1016/j.micinf.2023.105284. Epub 2023 Dec 23. Microbes Infect. 2024. PMID: 38145750

8

Computational exploration of the genomic assignments, molecular structure, and dynamics of the ccdAB^Xn² toxin-antitoxin homolog with its bacterial target, the DNA gyrase, in the entomopathogen Xenorhabdus nematophila.

Chaudhary S, Ali W, Yadav M, Singh G, Gupta N, Grover S, Ghosh C, Chandra S, Rathore JS. Chaudhary S, et al. Among authors: ali w. J Biomol Struct Dyn. 2024 Feb 7:1-15. doi: 10.1080/07391102.2024.2311337. Online ahead of print. J Biomol Struct Dyn. 2024. PMID: 38321949

9

Revitalizing antimicrobial strategies: paromomycin and dicoumarol repurposed as potent inhibitors of M.tb's replication machinery via targeting the vital protein DnaN.

Ali W, Agarwal M, Jamal S, Gangwar R, Sharma R, Mubarak MM, Wani ZA, Ahmad Z, Khan A, Sheikh JA, Grover A, Bhaskar A, Dwivedi VP, Grover S. Ali W, et al. Int J Biol Macromol. 2024 Oct;278(Pt 3):134652. doi: 10.1016/j.ijbiomac.2024.134652. Epub 2024 Aug 22. Int J Biol Macromol. 2024. PMID: 39173789

10

Genomic profiling and molecular dynamics analysis of parDE^Pa toxin-antitoxin homologs targeting DNA gyrase in Pseudomonas aeruginosa: insights from computational investigations.

Gupta N, Yadav M, Ali W, Singh G, Chaudhary S, Grover S, Chandra S, Rathore JS. Gupta N, et al. Among authors: ali w. J Biomol Struct Dyn. 2025 Jan 1:1-17. doi: 10.1080/07391102.2024.2446675. Online ahead of print. J Biomol Struct Dyn. 2025. PMID: 39743786

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