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Updated: Jun 15, 2026

Protein Target Prediction and Validation of Small Molecule Compound
Published on: February 23, 2024
In-silico approaches to multi-target drug discovery : computer aided multi-target drug design, multi-target virtual
Xiao Hua Ma1, Zhe Shi, Chunyan Tan
1Bioinformatics 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.
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.
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