Xin Lu 1 , Hongyu Yang 1 , Yao Chen 2 , Qi Li 1 , Si-Yu He 1 , Xueyang Jiang 3 , Feng Feng 3 , Wei Qu 3 , Haopeng Sun 1 Show Affiliations »
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. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.
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. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.
Keywords:
Pharmacophore modeling; computer-aided methodologies; drug discovery; lead identification; virtual compoundzzm321990libraries; virtual screening.
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Year: 2018
PMID： 30101699 DOI： 10.2174/1381612824666180810162944
Source DB: PubMed Journal: Curr Pharm Des ISSN： 1381-6128 Impact factor: 3.116