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

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

Volume: 24 Issue: 29

Author(s): Xin Lu, Hongyu Yang, Yao Chen, Qi Li, Si-yu He, Xueyang Jiang, Feng Feng, Wei Qu and Haopeng Sun*

Affiliation:

• Department of Medicinal Chemistry, China Pharmaceutical University, Nanjing, 210009,China

Keywords: Pharmacophore modeling, virtual screening, drug discovery, lead identification, computer-aided methodologies, virtual compound libraries.

Abstract: 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.

Cite this article as:

Lu Xin , Yang Hongyu , Chen Yao , Li Qi, He Si-yu , Jiang Xueyang, Feng Feng , Qu Wei and Sun Haopeng *, The Development of Pharmacophore Modeling: Generation and Recent Applications in Drug Discovery, Current Pharmaceutical Design 2018; 24 (29) . https://dx.doi.org/10.2174/1381612824666180810162944