Revealing the role of fluorine pharmacophore in chalcone scaffold for shifting the MAO-B selectivity: investigation of a detailed molecular dynamics and quantum chemical study-Reference-Cited by-同舟云学术

Revealing the role of fluorine pharmacophore in chalcone scaffold for shifting the MAO-B selectivity: investigation of a detailed molecular dynamics and quantum chemical study

Published:2020-07-24 Issue:16 Volume:39 Page:6126-6139
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Olotu Fisayo A.¹,Joy Monu²,Abdelgawad Mohamed A.³⁴,Narayanan Siju E.⁵,Soliman Mahmoud E.¹,Mathew Bijo⁶

Affiliation:

1. Molecular Bio-computation and Drug Design Laboratory, School of Health Sciences, University of KwaZulu-Natal, Durban, South Africa

2. Department of Chemistry & Biomolecular Science, Clarkson University, Potsdam, NY, USA

3. Pharmaceutical Chemistry Department, College of Pharmacy, Jouf University, Sakaka, Aljouf, Saudi Arabia

4. Pharmaceutical Organic Chemistry Department, Faculty of Pharmacy, Beni-Suef university, Beni Suef, Egypt

5. P.G. Department of Pharmacology, College of Pharmaceutical Sciences, Government Medical College, Kannur, India

6. Division of Drug Design and Medicinal Chemistry Research Lab, Department of Pharmaceutical Chemistry, Ahalia School of Pharmacy, Palakkad, Kerala, India

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2020.1796803

Reference62 articles.

1. The irony of chirality – unveiling the distinct mechanistic binding and activities of 1-(3-(4-amino-5-(7-methoxy-5-methylbenzo[b]thiophen-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)pyrrolidin-1-yl)prop-2-en-1-one enantiomers as irreversible covalent FGFR4 inhibitors

2. Structures of Human Monoamine Oxidase B Complexes with Selective Noncovalent Inhibitors: Safinamide and Coumarin Analogs

3. Focusing on new monoamine oxidase inhibitors

4. Aromatic interactions at the ligand-protein interface: Implications for the development of docking scoring functions

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