In-silico approaches to multi-target drug discovery : computer aided multi-target drug design, multi-target virtual screening.
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.
Ma
Xiao Hua
XH
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.
Shi
Zhe
Z
Tan
Chunyan
C
Jiang
Yuyang
Y
Go
Mei Lin
ML
Low
Boon Chuan
BC
Chen
Yu Zong
YZ
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
D008024:Ligands