Application of the SwissDrugDesign Online Resources in Virtual Screening

被引：75

作者：

Daina, Antoine ^{[1
]}

Zoete, Vincent ^{[1
,2
]}

机构：

[1] Univ Lausanne, Quartier UNILSorge, SIB Swiss Inst Bioinformat, Mol Modeling Grp, Batiment Amphipole, CH-1015 Lausanne, Switzerland

[2] Univ Lausanne, Dept Fundamental Oncol, Ludwig Lausanne Branch, Route Corniche 9A, CH-1066 Epalinges, Switzerland

来源：

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES | 2019年 / 20卷 / 18期

基金：

瑞士国家科学基金会;

关键词：

virtual screening; computer-aided drug design; SwissSimilarity; SwissTargetPrediction; web-based tools; FINGERPRINT SIMILARITY SEARCH; FOCAL ADHESION KINASE; CANCER-CELL ADHESION; CHARMM FORCE-FIELD; DOCKING; DISCOVERY; INHIBITION; TARGET; SHAPE; ZINC;

D O I：

10.3390/ijms20184612

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

SwissDrugDesign is an important initiative led by the Molecular Modeling Group of the SIB Swiss Institute of Bioinformatics. This project provides a collection of freely available online tools for computer-aided drug design. Some of these web-based methods, i.e., SwissSimilarity and SwissTargetPrediction, were especially developed to perform virtual screening, while others such as SwissADME, SwissDock, SwissParam and SwissBioisostere can find applications in related activities. The present review aims at providing a short description of these methods together with examples of their application in virtual screening, where SwissDrugDesign tools successfully supported the discovery of bioactive small molecules.

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页数：12

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