Structure-based drug design, molecular dynamics simulation, ADMET, and quantum chemical studies of some thiazolinones targeting influenza neuraminidase-Reference-Cited by-同舟云学术

Structure-based drug design, molecular dynamics simulation, ADMET, and quantum chemical studies of some thiazolinones targeting influenza neuraminidase

Published:2023-05-09 Issue:23 Volume:41 Page:13829-13843
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Abdullahi Mustapha¹²^ORCID,Uzairu Adamu¹,Shallangwa Gideon Adamu¹,Mamza Paul Andrew¹,Ibrahim Muhammad Tukur¹,Ahmad Iqrar³^ORCID,Patel Harun³^ORCID

Affiliation:

1. Faculty of Physical Sciences, Department of Chemistry, Ahmadu Bello University, Zaria, Kaduna State, Nigeria

2. Faculty of Sciences, Department of Pure and Applied Chemistry, Kaduna State University, Kaduna, Kaduna State, Nigeria

3. Division of Computer Aided Drug Design, Department of Pharmaceutical Chemistry, R. C. Patel Institute of Pharmaceutical Education and Research, Shirpur, Maharashtra, India

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2023.2208225

Reference93 articles.

1. Development of bromo- and fluoro-based α, β-unsaturated ketones as highly potent MAO-B inhibitors for the treatment of Parkinson's disease

2. Evaluation of apigenin-based biflavonoid derivatives as potential therapeutic agents against viral protease (3CLpro) of SARS-CoV-2 via molecular docking, molecular dynamics and quantum mechanics studies

3. Quantitative structure-activity relationship (QSAR) modelling study of some novel carboxamide series as new anti-tubercular agents

4. Virtual molecular docking study of some novel carboxamide series as new anti-tubercular agents

5. 2D-QSAR, 3D-QSAR, molecular docking and ADMET prediction studies of some novel 2-((1H-indol-3-yl)thio)-N-phenyl-acetamide derivatives as anti-influenza A virus

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