title: In-silico approaches to multi-target drug discovery : computer aided multi-target drug design, multi-target virtual screening.
abstract: Multi-target drugs against selective multiple targets improve therapeutic efficacy, safety and resistance profiles by collective regulations of a primary therapeutic target together with compensatory elements and resistance activities. Efforts have been made to employ in-silico methods for facilitating the search and design of selective multi-target agents. These methods have shown promising potential in facilitating drug discovery directed at selective multiple targets.
authors.affiliation: Bioinformatics and Drug Design Group, Department of Pharmacy, Centre for Computational Science and Engineering, National University of Singapore, Blk S16, Level 8, 3 Science Drive 2, Singapore, 117543, Singapore.
authors.forename: Xiao Hua
authors.initials: XH
authors.lastname: Ma
authors.forename: Zhe
authors.initials: Z
authors.lastname: Shi
authors.forename: Chunyan
authors.initials: C
authors.lastname: Tan
authors.forename: Yuyang
authors.initials: Y
authors.lastname: Jiang
authors.forename: Mei Lin
authors.initials: ML
authors.lastname: Go
authors.forename: Boon Chuan
authors.initials: BC
authors.lastname: Low
authors.forename: Yu Zong
authors.initials: YZ
authors.lastname: Chen
mesh_terms: D000818:Animals; D003198:Computer Simulation; D017076:Computer-Aided Design; D015195:Drug Design; D055808:Drug Discovery / Q000379:methods*; D004353:Drug Evaluation, Preclinical / Q000379:methods*; D006801:Humans; D008024:Ligands
chemical_list: D008024:Ligands