The Development of Pharmacophore Modeling: Generation and Recent Applications in Drug Discovery

被引：32

作者：

Lu, Xin ^{[1
]}

Yang, Hongyu ^{[1
]}

Chen, Yao ^{[2
]}

Li, Qi ^{[1
]}

He, Si-yu ^{[1
]}

Jiang, Xueyang ^{[3
]}

Feng, Feng ^{[3
]}

Qu, Wei ^{[3
]}

Sun, Haopeng ^{[1
]}

机构：

[1] China Pharmaceut Univ, Dept Med Chem, Nanjing 210009, Jiangsu, Peoples R China

[2] Nanjing Univ Chinese Med, Sch Pharm, Nanjing 210023, Jiangsu, Peoples R China

[3] China Pharmaceut Univ, Key Lab Biomed Funct Mat, Nanjing 211198, Jiangsu, Peoples R China

来源：

CURRENT PHARMACEUTICAL DESIGN | 2018年 / 24卷 / 29期

基金：

中国国家自然科学基金;

关键词：

Pharmacophore modeling; virtual screening; drug discovery; lead identification; computer-aided methodologies; virtual compound libraries; SMALL-MOLECULE INHIBITORS; VIRTUAL SCREENING APPROACH; IN-SILICO IDENTIFICATION; G-QUADRUPLEX; BIOLOGICAL EVALUATION; HIT IDENTIFICATION; HIV-1; PROTEASE; LIGAND; DOCKING; DESIGN;

D O I：

10.2174/1381612824666180810162944

中图分类号：

R9 [药学];

学科分类号：

1007 ;

摘要：

Background: The pharmacophore concept in modern drug research is of great importance and promotes the development of drug industry as indicated by the number of publications available. Methods: In this article, we reviewed and highlighted some successful examples of pharmacophore modeling, which was applied either in virtual screening for efficient hit discovery or in the optimization of the lead compounds. Meanwhile, the analysis of some important aspects of pharmacophore modeling such as a database, the software was listed as well. Results: Based on the analysis of these examples, we intended to provide an overview of pharmacophore-based virtual screening, which we hope to help readers gain insight into this powerful technique. Conclusion: Owing to its' convenience and efficiency, pharmacophore presents an essential method for drug discovery.

引用

页码：3424 / 3439

页数：16

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