Scaffold-Hopped Compound Identification by Ligand-Based Approaches with a Prospective Affinity Test-Reference-Cited by-同舟云学术

Scaffold-Hopped Compound Identification by Ligand-Based Approaches with a Prospective Affinity Test

Published:2024-07-01 Issue:14 Volume:64 Page:5557-5569
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Maeda Itsuki¹^ORCID,Tamura Shunsuke¹^ORCID,Ogura Yoshihiro²,Serizawa Takayuki²,Shimada Takashi³^ORCID,Kunimoto Ryo⁴^ORCID,Miyao Tomoyuki¹⁵^ORCID

Affiliation:

1. Graduate School of Science and Technology, Nara Institute of Science and Technology, 8916-5 Takayama-cho, Ikoma, Nara 630-0192, Japan

2. Medicinal Chemistry Research Laboratories, R&D Division, Daiichi Sankyo Co., Ltd., 1-2-58 Hiromachi, Shinagawa-ku, Tokyo 140-8710, Japan

3. Structure-Based Drug Design Group, Organic & Biomolecular Chemistry Department, Daiichi Sankyo RD Novare Co., Ltd., 1-16-13 Kitakasai, Edogawa-ku, Tokyo 134-8630, Japan

4. Discovery Intelligence Research Laboratories, R&D Division, Daiichi Sankyo Co., Ltd., 1-2-58 Hiromachi, Shinagawa-ku, Tokyo 140-8710, Japan

5. Data Science Center, Nara Institute of Science and Technology, 8916-5 Takayama-cho, Ikoma, Nara 630-0192, Japan

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.4c00342

Reference50 articles.

1. “Scaffold-Hopping” by Topological Pharmacophore Search: A Contribution to Virtual Screening

2. Recent Scaffold Hopping Applications in Central Nervous System Drug Discovery

3. Recent Advances in Scaffold Hopping

4. LigandScout: 3-D Pharmacophores Derived from Protein-Bound Ligands and Their Use as Virtual Screening Filters

5. Indolyl-pyrrolone as a new scaffold for Pim1 inhibitors