Mir SA - Search Results

1

An exploration of binding of Hesperidin, Rutin, and Thymoquinone to acetylcholinesterase enzyme using multi-level computational approaches.

Mir SA, Nayak B, Khan A, Khan MI, Eldakhakhny BM, Arif DO. Mir SA, et al. J Biomol Struct Dyn. 2024;42(21):11901-11915. doi: 10.1080/07391102.2023.2265492. Epub 2023 Oct 9. J Biomol Struct Dyn. 2024. PMID: 37811769

2

Exploring binding stability of hydroxy-3-(4-hydroxyphenyl)-5-(4-nitrophenyl)-5,5a,7,8,9,9a-hexahydrothiazolo[2,3-b] quinazolin-6-one with T790M/L858R EGFR-TKD.

Mir SA, Nayak B. Mir SA, et al. J Biomol Struct Dyn. 2023 May;41(8):3702-3716. doi: 10.1080/07391102.2022.2053748. Epub 2022 Mar 28. J Biomol Struct Dyn. 2023. PMID: 35343861

3

In Silico and In Vitro Evaluations of Fluorophoric Thiazolo-[2,3-b]quinazolinones as Anti-cancer Agents Targeting EGFR-TKD.

Mir SA, Dash GC, Meher RK, Mohanta PP, Chopdar KS, Mohapatra PK, Baitharu I, Behera AK, Raval MK, Nayak B. Mir SA, et al. Appl Biochem Biotechnol. 2022 Oct;194(10):4292-4318. doi: 10.1007/s12010-022-03893-w. Epub 2022 Apr 2. Appl Biochem Biotechnol. 2022. PMID: 35366187

4

Identification of potent EGFR-TKD inhibitors from NPACT database through combined computational approaches.

Mir SA, Muhammad A, Padhiary A, Ekka NJ, Baitharu I, Naik PK, Nayak B. Mir SA, et al. J Biomol Struct Dyn. 2023;41(21):12063-12076. doi: 10.1080/07391102.2023.2171133. Epub 2023 Jan 25. J Biomol Struct Dyn. 2023. PMID: 36695102

5

Molecular modeling and simulations of some antiviral drugs, benzylisoquinoline alkaloid, and coumarin molecules to investigate the effects on Mpro main viral protease inhibition.

Mir SA, Meher RK, Nayak B. Mir SA, et al. Biochem Biophys Rep. 2023 Jul;34:101459. doi: 10.1016/j.bbrep.2023.101459. Epub 2023 Mar 24. Biochem Biophys Rep. 2023. PMID: 36987522 Free PMC article.

6

In silico and in vitro investigation of dual targeting Prima-1^MET as precision therapeutic against lungs cancer.

Meher RK, Mir SA, Anisetti SS. Meher RK, et al. Among authors: mir sa. J Biomol Struct Dyn. 2024 May;42(8):4169-4184. doi: 10.1080/07391102.2023.2219323. Epub 2023 Jun 5. J Biomol Struct Dyn. 2024. PMID: 37272907

7

Bioinspired thiazolo-[2,3-b] quinazolin-6-one derivatives as potent anti-cancer agents targeting EGFR: their biological evaluations and in silico assessment.

Mir SA, Mohanta PP, Meher RK, Baitharu I, Behera AK, Raut S, Nayak B. Mir SA, et al. Mol Divers. 2024 Aug;28(4):2479-2494. doi: 10.1007/s11030-023-10688-6. Epub 2023 Jul 3. Mol Divers. 2024. PMID: 37395840

8

Identification of anti-cyanobacterial leads targeting carbonic anhydrase from phytochemical database using in silico approach.

Padhiary A, Mir SA, Tete SS, Baitharu I, Nayak B. Padhiary A, et al. Among authors: mir sa. BioTechnologia (Pozn). 2023 Jun 26;104(2):121-136. doi: 10.5114/bta.2023.127203. eCollection 2023. BioTechnologia (Pozn). 2023. PMID: 37427029 Free PMC article.

9

Novel computational and drug design strategies for inhibition of monkeypox virus and Babesia microti: molecular docking, molecular dynamic simulation and drug design approach by natural compounds.

Akash S, Mir SA, Mahmood S, Hossain S, Islam MR, Mukerjee N, Nayak B, Nafidi HA, Bin Jardan YA, Mekonnen A, Bourhia M. Akash S, et al. Among authors: mir sa. Front Microbiol. 2023 Jul 19;14:1206816. doi: 10.3389/fmicb.2023.1206816. eCollection 2023. Front Microbiol. 2023. PMID: 37538847 Free PMC article.

10

An exploration of the binding prediction of anatoxin-a and atropine to acetylcholinesterase enzyme using multi-level computer simulations.

Mir SA, Razzokov J, Mukherjee V, Baitharu I, Nayak B. Mir SA, et al. Phys Biol. 2023 Nov 23;21(1). doi: 10.1088/1478-3975/ad0caa. Phys Biol. 2023. PMID: 37963412

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