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Drug-Target Interactions: Prediction Methods and Applications

[ Vol. 19 , Issue. 6 ]

Author(s):

Shanmugam Anusuya*, Manish Kesherwani, K. Vishnu Priya, Antonydhason Vimala, Gnanendra Shanmugam, Devadasan Velmurugan and M. Michael Gromiha*   Pages 537 - 561 ( 25 )

Abstract:


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.

Keywords:

Drug-target interaction, machine learning, supervised method, semi-supervised method, drug repurposing, polypharmacology, similarity based method, feature based method, drug design.

Affiliation:

Department of Biotechnology, Bhupat and Jyoti Mehta School of Biosciences, Indian Institute of Technology Madras, Chennai - 600036, Tamil Nadu, Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy campus, Chennai 600 025, Tamil Nadu, Department of Biotechnology, Bhupat and Jyoti Mehta School of Biosciences, Indian Institute of Technology Madras, Chennai - 600036, Tamil Nadu, Department of Biotechnology, Bhupat and Jyoti Mehta School of Biosciences, Indian Institute of Technology Madras, Chennai - 600036, Tamil Nadu, Department of Biotechnology, Mahendra Arts and Science College, Kalippatti, Tamil Nadu, Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy campus, Chennai 600 025, Tamil Nadu, Department of Biotechnology, Bhupat and Jyoti Mehta School of Biosciences, Indian Institute of Technology Madras, Chennai - 600036, Tamil Nadu

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