Pocket-to-Lead: Structure-Based <i>De Novo</i> Design of Novel Non-peptidic HIV-1 Protease Inhibitors Using the Ligand Binding Pocket as a Template-Reference-Cited by-同舟云学术

Pocket-to-Lead: Structure-Based De Novo Design of Novel Non-peptidic HIV-1 Protease Inhibitors Using the Ligand Binding Pocket as a Template

Published:2022-04-13 Issue:8 Volume:65 Page:6157-6170
ISSN:0022-2623
Container-title:Journal of Medicinal Chemistry
language:en
Short-container-title:J. Med. Chem.

Author:

Kojima Eiichi¹,Iimuro Atsuhiro¹,Nakajima Mado¹,Kinuta Hirotaka¹,Asada Naoya¹,Sako Yusuke¹,Nakata Zenzaburo¹,Uemura Kentaro¹,Arita Shuhei¹,Miki Shinobu¹,Wakasa-Morimoto Chiaki¹,Tachibana Yuki¹^ORCID

Affiliation:

1. Shionogi Pharmaceutical Research Center, 3-1-1 Futaba-cho, Toyonaka, Osaka 561-0825, Japan

Publisher

American Chemical Society (ACS)

Subject

Drug Discovery,Molecular Medicine

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jmedchem.1c02217

Reference40 articles.

1. The art and practice of structure-based drug design: A molecular modeling perspective

2. Virtual Exploration of the Small-Molecule Chemical Universe below 160 Daltons

3. 970 Million Druglike Small Molecules for Virtual Screening in the Chemical Universe Database GDB-13

4. Enumeration of 166 Billion Organic Small Molecules in the Chemical Universe Database GDB-17

5. Where Do Recent Small Molecule Clinical Development Candidates Come From?

Cited by 7 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Discovery of potent SARS-CoV-2 nsp3 macrodomain inhibitors uncovers lack of translation to cellular antiviral response;2024-08-21

2. Rational design, synthesis and biological evaluation of novel HIV-1 protease inhibitors containing 2-phenylacetamide derivatives as P2 ligands with potent activity against DRV-Resistant HIV-1 variants;Bioorganic & Medicinal Chemistry Letters;2024-03

3. Medicinal chemistry perspectives on the development of piperazine-containing HIV-1 inhibitors;Bioorganic & Medicinal Chemistry;2024-02

4. Fragment-to-Lead Medicinal Chemistry Publications in 2022;Journal of Medicinal Chemistry;2024-01-30

5. Structure-Based Identification of Organoruthenium Compounds as Nanomolar Antagonists of Cannabinoid Receptors;Journal of Chemical Information and Modeling;2024-01-12