Khan SU - Search Results

1

A comprehensive computational study to explore promising natural bioactive compounds targeting glycosyltransferase MurG in Escherichia coli for potential drug development.

Shtaiwi A, Khan SU, Khedraoui M, Alaraj M, Samadi A, Chtita S. Shtaiwi A, et al. Among authors: khan su. Sci Rep. 2024 Mar 26;14(1):7098. doi: 10.1038/s41598-024-57702-x. Sci Rep. 2024. PMID: 38532068 Free PMC article.

2

Computational investigations of the binding mechanism of novel benzophenone imine inhibitors for the treatment of breast cancer.

Shtaiwi A, Adnan R, Khairuddean M, Khan SU. Shtaiwi A, et al. Among authors: khan su. RSC Adv. 2019 Nov 1;9(61):35401-35416. doi: 10.1039/c9ra04759j. eCollection 2019 Oct 31. RSC Adv. 2019. PMID: 35541022 Free PMC article.

3

Thiadiazine thione derivatives as anti-leishmanial agents: synthesis, biological evaluation, structure activity relationship, ADMET, molecular docking and molecular dynamics simulation studies.

Tamanna, Fu C, Qadir M, Shah MIA, Shtaiwi A, Khan R, Khan SU, Htar TT, Zada A, Lodhi MA, Ateeq M, Ali A, Naeem M, Ibrahim M, Khan SW. Tamanna, et al. Among authors: khan r, khan su, khan sw. J Biomol Struct Dyn. 2023 Aug 7:1-15. doi: 10.1080/07391102.2023.2245480. Online ahead of print. J Biomol Struct Dyn. 2023. PMID: 37551015

4

Anti-Inflammatory and Anti-Rheumatic Potential of Selective Plant Compounds by Targeting TLR-4/AP-1 Signaling: A Comprehensive Molecular Docking and Simulation Approaches.

Khan A, Khan SU, Khan A, Shal B, Rehman SU, Rehman SU, Htar TT, Khan S, Anwar S, Alafnan A, Rengasamy KR. Khan A, et al. Among authors: khan s, khan su. Molecules. 2022 Jul 5;27(13):4319. doi: 10.3390/molecules27134319. Molecules. 2022. PMID: 35807562 Free PMC article.

5

Virtual screening of bioactive anti-SARS-CoV natural products and identification of 3β,12-diacetoxyabieta-6,8,11,13-tetraene as a potential inhibitor of SARS-CoV-2 virus and its infection related pathways by MD simulation and network pharmacology.

Huq AKMM, Roney M, Imran S, Khan SU, Uddin MN, Htar TT, Baig AA, Bhuiyan MA, Zakaria ZA, Aluwi MFFM, Tajuddin SN. Huq AKMM, et al. Among authors: khan su. J Biomol Struct Dyn. 2023;41(23):13923-13936. doi: 10.1080/07391102.2023.2176926. Epub 2023 Feb 14. J Biomol Struct Dyn. 2023. PMID: 36786766

6

Natural bioactive compounds as a new source of promising G protein-coupled estrogen receptor (GPER) modulators: comprehensive in silico approach.

Khan SU, Ahemad N, Chuah LH, Naidu R, Htar TT. Khan SU, et al. J Biomol Struct Dyn. 2022 Mar;40(4):1617-1628. doi: 10.1080/07391102.2020.1830853. Epub 2020 Oct 15. J Biomol Struct Dyn. 2022. PMID: 33054574

7

Prospect of Anterior Gradient 2 homodimer inhibition via repurposing FDA-approved drugs using structure-based virtual screening.

Ullah S, Khan SU, Khan A, Junaid M, Rafiq H, Htar TT, Zhao Y, Shah SAA, Wadood A. Ullah S, et al. Among authors: khan su, khan a. Mol Divers. 2022 Jun;26(3):1399-1409. doi: 10.1007/s11030-021-10263-x. Epub 2021 Jun 28. Mol Divers. 2022. PMID: 34181147

8

Isolation, Structure Elucidation and In Silico Prediction of Potential Drug-Like Flavonoids from Onosma chitralicum Targeted towards Functionally Important Proteins of Drug-Resistant Bad Bugs.

Khan SA, Khan SU, Fozia, Ullah N, Shah M, Ullah R, Ahmad I, Alotaibi A. Khan SA, et al. Among authors: khan su. Molecules. 2021 Apr 2;26(7):2048. doi: 10.3390/molecules26072048. Molecules. 2021. PMID: 33918531 Free PMC article.

9

Subtractive proteomics-based vaccine targets annotation and reverse vaccinology approaches to identify multiepitope vaccine against Plesiomonas shigelloides.

Rasool D, Jan SA, Khan SU, Nahid N, Ashfaq UA, Umar A, Qasim M, Noor F, Rehman A, Shahzadi K, Alshammari A, Alharbi M, Nisar MA. Rasool D, et al. Among authors: khan su. Heliyon. 2024 May 22;10(11):e31304. doi: 10.1016/j.heliyon.2024.e31304. eCollection 2024 Jun 15. Heliyon. 2024. PMID: 38845922 Free PMC article.

10

Microbiome Miracles and their Pioneering Advances and Future Frontiers in Cardiovascular Disease.

Safdar M, Ullah M, Hamayun S, Wahab A, Khan SU, Abdikakhorovich SA, Haq ZU, Mehreen A, Naeem M, Mustopa AZ, Hasan N. Safdar M, et al. Among authors: khan su. Curr Probl Cardiol. 2024 Jun 1:102686. doi: 10.1016/j.cpcardiol.2024.102686. Online ahead of print. Curr Probl Cardiol. 2024. PMID: 38830479 Review.

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