Drug-Target Interactions: Prediction Methods and Applications.
Identifying the interactions between drugs and target proteins is a key step in drug discovery. This not only aids to understand the disease mechanism, but also helps to identify unexpected therapeutic activity or adverse side effects of drugs. Hence, drug-target interaction prediction becomes an essential tool in the field of drug repurposing. The availability of heterogeneous biological data on known drug-target interactions enabled many researchers to develop various computational methods to decipher unknown drug-target interactions. This review provides an overview on these computational methods for predicting drug-target interactions along with available webservers and databases for drug-target interactions. Further, the applicability of drug-target interactions in various diseases for identifying lead compounds has been outlined.
Department of Biotechnology, Bhupat and Jyoti Mehta School of Biosciences, Indian Institute of Technology Madras, Chennai - 600036, Tamil Nadu, India.
Shanmugam
S
Anusuya
Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy campus, Chennai 600 025, Tamil Nadu, India.
Manish
M
Kesherwani
Department of Biotechnology, Bhupat and Jyoti Mehta School of Biosciences, Indian Institute of Technology Madras, Chennai - 600036, Tamil Nadu, India.
K Vishnu
KV
Priya
Department of Biotechnology, Bhupat and Jyoti Mehta School of Biosciences, Indian Institute of Technology Madras, Chennai - 600036, Tamil Nadu, India.
Antonydhason
A
Vimala
Department of Biotechnology, Mahendra Arts and Science College, Kalippatti, Tamil Nadu, India.
Gnanendra
G
Shanmugam
Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy campus, Chennai 600 025, Tamil Nadu, India.|Bioinformatics Infrastructure Facility (BIF), University of Madras, Guindy Campus, Chennai 600 025, India.
Devadasan
D
Velmurugan
Department of Biotechnology, Bhupat and Jyoti Mehta School of Biosciences, Indian Institute of Technology Madras, Chennai - 600036, Tamil Nadu, India.
M Michael
MM
Gromiha
D000465:Algorithms; D019295:Computational Biology / Q000379:methods*; D003198:Computer Simulation; D062126:Databases, Chemical; D030562:Databases, Protein; D055808:Drug Discovery / Q000379:methods*; D006801:Humans; D015394:Molecular Structure; D011485:Protein Binding; D013329:Structure-Activity Relationship
Drug-target interaction; drug design; drug repurposing; feature based method; machine learning; polypharmacology; semi-supervised method; similarity based method; supervised method.