De Novo Design of Drug-Like Molecules by a Fragment-Based Molecular Evolutionary Approach-Reference-Cited by-同舟云学术

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De Novo Design of Drug-Like Molecules by a Fragment-Based Molecular Evolutionary Approach

Published:2014-01-13 Issue:1 Volume:54 Page:49-56
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Kawai Kentaro¹,Nagata Naoya¹,Takahashi Yoshimasa²

Affiliation:

1. Central Research Laboratories, Kaken Pharmaceutical Co. Ltd., 14, Shinomiya Minamikawara-cho, Yamashina, Kyoto 607-8042, Japan

2. Department of Computer Science and Engineering, Toyohashi University of Technology, 1-1, Hibarigaoka, Tempaku-cho, Toyohashi 441-8580, Japan

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/ci400418c

Reference37 articles.

1. A 3D Similarity Method for Scaffold Hopping from Known Drugs or Natural Ligands to New Chemotypes

2. Novel Approach for Chemotype Hopping Based on Annotated Databases of Chemically Feasible Fragments and a Prospective Case Study: New Melanin Concentrating Hormone Antagonists

3. Scaffold-hopping with zwitterionic CCR3 antagonists: Identification and optimisation of a series with good potency and pharmacokinetics leading to the discovery of AZ12436092

4. Development of potent B-RafV600E inhibitors containing an arylsulfonamide headgroup

5. Discovery of Dabrafenib: A Selective Inhibitor of Raf Kinases with Antitumor Activity against B-Raf-Driven Tumors

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