Fsp3: A new parameter for drug-likeness

Wenxiu Wei; Srinivasulu Cherukupalli; Lanlan Jing; Xinyong Liu; Peng Zhan

doi:10.1016/j.drudis.2020.07.017

Fsp³: A new parameter for drug-likeness

Drug Discov Today. 2020 Oct;25(10):1839-1845. doi: 10.1016/j.drudis.2020.07.017. Epub 2020 Jul 24.

Authors

Wenxiu Wei¹, Srinivasulu Cherukupalli¹, Lanlan Jing¹, Xinyong Liu², Peng Zhan³

Affiliations

¹ Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44 West Culture Road, 250012 Jinan, Shandong, PR China.
² Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44 West Culture Road, 250012 Jinan, Shandong, PR China. Electronic address: xinyongl@sdu.edu.cn.
³ Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44 West Culture Road, 250012 Jinan, Shandong, PR China. Electronic address: zhanpeng1982@sdu.edu.cn.

PMID: 32712310
DOI: 10.1016/j.drudis.2020.07.017

Abstract

The drug-likeness of a compound is a key factor during the initial phases of drug discovery. It can be defined as the similarity between compounds and drugs. Here, we collate research related to the fraction of sp³ carbon atoms (Fsp³), including related high-throughput screening (HTS) cases, structural modifications based on Fsp³, and strategies to improve it. We also introduce new synthetic methods for spirocyclic scaffolds. It is likely that the reasonable rigidity of spirocyclic scaffolds will provide a new generation of drug candidates.

Publication types

Research Support, Non-U.S. Gov't
Review

MeSH terms

Animals
Chemistry, Pharmaceutical / methods
Drug Discovery / methods*
High-Throughput Screening Assays / methods*
Humans
Spiro Compounds / chemical synthesis
Spiro Compounds / chemistry*

Substances

Spiro Compounds