Computational screening and MM/GBSA-based MD simulation studies reveal the high binding potential of FDA-approved drugs against<i>Cutibacterium acnes</i>sialidase-Reference-Cited by-同舟云学术

Computational screening and MM/GBSA-based MD simulation studies reveal the high binding potential of FDA-approved drugs againstCutibacterium acnessialidase

Published:2023-08-07 Issue: Volume: Page:1-11
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Singh Akash Pratap¹²^ORCID,Ahmad Shaban³^ORCID,Raza Khalid³^ORCID,Gautam Hemant K.¹²^ORCID

Affiliation:

1. Infectious Disease Laboratory, Institute of Genomics and Integrative Biology (IGIB), New Delhi, India

2. Academy of Innovative and Scientific Research (AcSIR), Ghaziabad, India

3. Department of Computer Science, Jamia Millia Islamia, New Delhi, India

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2023.2242950

Reference42 articles.

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3. 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

4. In-Silico Screening and Molecular Dynamics Simulation of Drug Bank Experimental Compounds against SARS-CoV-2

5. Hemi-Babim and Fenoterol as Potential Inhibitors of MPro and Papain-like Protease against SARS-CoV-2: An In-Silico Study

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