Actives-Based Receptor Selection Strongly Increases the Success Rate in Structure-Based Drug Design and Leads to Identification of 22 Potent Cancer Inhibitors-Reference-Cited by-同舟云学术

Actives-Based Receptor Selection Strongly Increases the Success Rate in Structure-Based Drug Design and Leads to Identification of 22 Potent Cancer Inhibitors

Published:2022-11-02 Issue:22 Volume:62 Page:5675-5687
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Hantz Eric R.¹^ORCID,Lindert Steffen¹^ORCID

Affiliation:

1. Department of Chemistry and Biochemistry, Ohio State University, Columbus, Ohio43210, United States

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c00848

Reference64 articles.

1. U.S. Senate. Committee on Finace. Research and Development in the Pharmaceutical Industry. Available from: Congressional Budget Office (Accessed August 06, 2021).

2. Computational methods in drug discovery

3. Computer-Aided Drug Design Methods

4. Conformational selection or induced fit: A flux description of reaction mechanism

5. Computational Drug Design Accommodating Receptor Flexibility: The Relaxed Complex Scheme

Cited by 4 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. Unveiling G-protein coupled receptor kinase-5 inhibitors for chronic degenerative diseases: Multilayered prioritization employing explainable machine learning-driven multi-class QSAR, ligand-based pharmacophore and free energy-inspired molecular simulation;International Journal of Biological Macromolecules;2024-06

2. Discovery of Nanomolar Inhibitors for Human Dihydroorotate Dehydrogenase Using Structure-Based Drug Discovery Methods;Journal of Chemical Information and Modeling;2024-01-04

3. Targeting Troponin C with Small Molecules Containing Diphenyl Moieties: Calcium Sensitivity Effects on Striated Muscles and Structure–Activity Relationship;Journal of Chemical Information and Modeling;2023-05-19

4. Targeting Troponin C with Small Molecules Containing Diphenyl Moieties: Calcium Sensitivity Effects on Striated Muscle and Structure Activity Relationship;2023-02-06