Molecular dynamics simulation, 3D-pharmacophore and scaffold hopping analysis in the design of multi-target drugs to inhibit potential targets of COVID-19-Reference-Cited by-同舟云学术

Molecular dynamics simulation, 3D-pharmacophore and scaffold hopping analysis in the design of multi-target drugs to inhibit potential targets of COVID-19

Published:2021-08-18 Issue: Volume: Page:1-22
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Fayyazi Neda¹²^ORCID,Mostashari-Rad Tahereh¹²,Ghasemi Jahan B.³^ORCID,Ardakani Mehran Mirabzadeh⁴,Kobarfard Farzad²⁵^ORCID

Affiliation:

1. Department of Medicinal Chemistry, School of Pharmacy and Pharmaceutical Sciences, Isfahan, Iran

2. Phytochemistry Research Center, Shahid Beheshti University of Medical Sciences, Tehran, Iran

3. College of Sciences, Faculty of Chemistry, University of Tehran, Tehran, Iran

4. Department of Traditional Pharmacy, Faculty of Pharmacy, Tehran University of Medical Science, Tehran, Iran

5. Department of Medicinal Chemistry, School of Pharmacy, Shahid Beheshti University of Medical Sciences, Tehran, Iran

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2021.1965914

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2. Quinolines-Based SARS-CoV-2 3CLpro and RdRp Inhibitors and Spike-RBD-ACE2 Inhibitor for Drug-Repurposing Against COVID-19: An in silico Analysis

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4. Pharmacophore-based approaches in the rational repurposing technique for FDA approved drugs targeting SARS-CoV-2 Mpro

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