Unveiling the multitargeted potential of N-(4-Aminobutanoyl)-S-(4-methoxybenzyl)-L-cysteinylglycine (NSL-CG) against SARS CoV-2: a virtual screening and molecular dynamics simulation study-Reference-Cited by-同舟云学术

Unveiling the multitargeted potential of N-(4-Aminobutanoyl)-S-(4-methoxybenzyl)-L-cysteinylglycine (NSL-CG) against SARS CoV-2: a virtual screening and molecular dynamics simulation study

Published:2022-08-16 Issue: Volume: Page:1-10
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Alghamdi Youssef Saeed¹,Mashraqi Mutaib M.²,Alzamami Ahmad³,Alturki Norah A.⁴,Ahmad Shaban⁵,Alharthi Afaf Awwadh⁶,Alshamrani Saleh²,Asiri Saeed A.²

Affiliation:

1. Department of Biology, Turabah University College, Taif University, Taif, Saudi Arabia

2. Department of Clinical Laboratory Sciences, College of Applied Medical Sciences, Najran University, Najran, Saudi Arabia

3. Clinical Laboratory Science Department, College of Applied Medical Science, Shaqra University, AlQuwayiyah, Saudi Arabia

4. Clinical Laboratory Science Department, College of Applied Medical Science, King Saud University, Riyadh, Saudi Arabia

5. Agriculture Knowledge Management Unit, ICAR-Indian Agricultural Research Institute, New Dehli, India

6. College of applied medical sciences, Department of Clinical laboratory sciences, Taif University, Taif, Saudi Arabia

Funder

Taif University

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2022.2110158

Reference35 articles.

1. Ahmad, S., Bhanu, P., Kumar, J., Pathak, R. K., Mallick, D., Uttarkar, A., Niranjan, V. & Mishra, V. (2021). Molecular dynamics simulation and docking studies reveal NF-κB as a promising therapeutic drug target for COVID-19.

2. Mobile Technology Solution for COVID-19: Surveillance and Prevention

3. Integrated Modeling Program, Applied Chemical Theory (IMPACT)

4. Barnard, R. C., Davies, N. G., Pearson, C. A., Jit, M. & Edmunds, W. J. (2021). Projected epidemiological consequences of the Omicron SARS-CoV-2 variant in England, December 2021 to April 2022. medRxiv

5. Bowers, K. J., Chow, D. E., Xu, H., Dror, R. O., Eastwood, M. P., Gregersen, B. A., Klepeis, J. L., Kolossvary, I., Moraes, M. A. & Sacerdoti, F. D. (2006). Scalable algorithms for molecular dynamics simulations on commodity clusters. In SC'06: Proceedings of the 2006 ACM/IEEE Conference on Supercomputing.

Cited by 26 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Unveiling the multitargeted potential of deprodone and control comparison with linezolid against hydrolase and transferase enzymes of methicillin-resistant Staphylococcus aureus;International Journal of Biological Macromolecules;2024-11

2. Reporting multitargeted potency of Tiaprofenic acid against lung cancer: Molecular fingerprinting, MD simulation, and MTT-based cell viability assay studies;International Journal of Biological Macromolecules;2024-09

3. Genetic susceptibility association between viral infection and colorectal cancer risk: a two-sample Mendelian randomization analysis;Infectious Agents and Cancer;2024-08-10

4. Unrevealing the multitargeted potency of 3-1-BCMIYPPA against lung cancer structural maintenance and suppression proteins through pharmacokinetics, QM-DFT, and multiscale MD simulation studies;PLOS ONE;2024-06-21

5. Multitargeted Docking, DFT-Based Optimisation, Pharmacokinetics, and MD Simulation Reveal 6-Oxidopamine HBr as a Multitargeted Inhibitor of Cervical Cancer Proteins;Current Medicinal Chemistry;2024-06-13