Comprehensive Approach of 19F Nuclear Magnetic Resonance, Enzymatic, and In Silico Methods for Site-Specific Hit Selection and Validation of Fragment Molecules that Inhibit Methionine γ-Lyase Activity-Reference-Cited by-同舟云学术

Comprehensive Approach of 19F Nuclear Magnetic Resonance, Enzymatic, and In Silico Methods for Site-Specific Hit Selection and Validation of Fragment Molecules that Inhibit Methionine γ-Lyase Activity

Published:2021-09-28 Issue:19 Volume:64 Page:14299-14310
ISSN:0022-2623
Container-title:Journal of Medicinal Chemistry
language:en
Short-container-title:J. Med. Chem.

Author:

Ikeda Kazuyoshi¹,Kezuka Yuichiro²,Nonaka Takamasa²,Yonezawa Tomoki¹,Osawa Masanori¹,Katoh Etsuko³^ORCID

Affiliation:

1. Division of Physics for Life Functions, Keio University Faculty of Pharmacy, 1-5-30 Shibakoen, Minato-ku, Tokyo 105-8512, Japan

2. Division of Structural Biology, Department of Pharmaceutical Sciences, School of Pharmacy, Iwate Medical University, 1-1-1 Idaidori, Yahaba, Iwate 028-3694, Japan

3. Research Center for Advanced Analysis, National Agriculture and Food Research Organization, 2-1-2 Kannondai, Tsukuba, Ibaraki 305-0856, Japan

Funder

Japan Society for the Promotion of Science

Publisher

American Chemical Society (ACS)

Subject

Drug Discovery,Molecular Medicine

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jmedchem.1c00766

Reference43 articles.

1. A Review on Applications of Computational Methods in Drug Screening and Design

2. Fragment-Based Drug Discovery: Advancing Fragments in the Absence of Crystal Structures

3. Ligand efficiency: a useful metric for lead selection

4. NMR-Fragment Based Virtual Screening: A Brief Overview

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