Drug-Target Interactions: Prediction Methods and Applications
被引:27
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作者:
Anusuya, Shanmugam
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机构:
Indian Inst Technol Madras, Bhupat & Jyoti Mehta Sch Biosci, Dept Biotechnol, Madras 600036, Tamil Nadu, IndiaIndian Inst Technol Madras, Bhupat & Jyoti Mehta Sch Biosci, Dept Biotechnol, Madras 600036, Tamil Nadu, India
Anusuya, Shanmugam
[1
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Kesherwani, Manish
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Univ Madras, Ctr Adv Study Crystallog & Biophys, Guindy Campus, Madras 600025, Tamil Nadu, IndiaIndian Inst Technol Madras, Bhupat & Jyoti Mehta Sch Biosci, Dept Biotechnol, Madras 600036, Tamil Nadu, India
Kesherwani, Manish
[2
]
Priya, K. Vishnu
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机构:
Indian Inst Technol Madras, Bhupat & Jyoti Mehta Sch Biosci, Dept Biotechnol, Madras 600036, Tamil Nadu, IndiaIndian Inst Technol Madras, Bhupat & Jyoti Mehta Sch Biosci, Dept Biotechnol, Madras 600036, Tamil Nadu, India
Priya, K. Vishnu
[1
]
Vimala, Antonydhason
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Indian Inst Technol Madras, Bhupat & Jyoti Mehta Sch Biosci, Dept Biotechnol, Madras 600036, Tamil Nadu, IndiaIndian Inst Technol Madras, Bhupat & Jyoti Mehta Sch Biosci, Dept Biotechnol, Madras 600036, Tamil Nadu, India
Vimala, Antonydhason
[1
]
Shanmugam, Gnanendra
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机构:
Mahendra Arts & Sci Coll, Dept Biotechnol, Kalippatti, Tamil Nadu, IndiaIndian Inst Technol Madras, Bhupat & Jyoti Mehta Sch Biosci, Dept Biotechnol, Madras 600036, Tamil Nadu, India
Shanmugam, Gnanendra
[3
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Velmurugan, Devadasan
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Univ Madras, Ctr Adv Study Crystallog & Biophys, Guindy Campus, Madras 600025, Tamil Nadu, India
Univ Madras, BIF, Guindy Campus, Madras 600025, Tamil Nadu, IndiaIndian Inst Technol Madras, Bhupat & Jyoti Mehta Sch Biosci, Dept Biotechnol, Madras 600036, Tamil Nadu, India
Velmurugan, Devadasan
[2
,4
]
Gromiha, M. Michael
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Indian Inst Technol Madras, Bhupat & Jyoti Mehta Sch Biosci, Dept Biotechnol, Madras 600036, Tamil Nadu, IndiaIndian Inst Technol Madras, Bhupat & Jyoti Mehta Sch Biosci, Dept Biotechnol, Madras 600036, Tamil Nadu, India
Gromiha, M. Michael
[1
]
机构:
[1] Indian Inst Technol Madras, Bhupat & Jyoti Mehta Sch Biosci, Dept Biotechnol, Madras 600036, Tamil Nadu, India
[2] Univ Madras, Ctr Adv Study Crystallog & Biophys, Guindy Campus, Madras 600025, Tamil Nadu, India
[3] Mahendra Arts & Sci Coll, Dept Biotechnol, Kalippatti, Tamil Nadu, India
[4] Univ Madras, BIF, Guindy Campus, Madras 600025, Tamil Nadu, India
Drug-target interaction;
machine learning;
supervised method;
semi-supervised method;
drug repurposing;
poly-pharmacology;
similarity based method;
feature based method;
drug design;
LARGE-SCALE PREDICTION;
INTERACTION NETWORKS;
PROTEASE INHIBITORS;
CHEMOGENOMIC FEATURES;
BIOLOGICAL EVALUATION;
MYCOBACTERIUM-LEPRAE;
CHEMICAL-STRUCTURE;
BINDING-AFFINITY;
IDENTIFICATION;
DISCOVERY;
D O I:
10.2174/1389203718666161108091609
中图分类号:
Q5 [生物化学];
Q7 [分子生物学];
学科分类号:
071010 ;
081704 ;
摘要:
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.
机构:
East China Univ Sci & Technol, Sch Pharm, Shanghai Key Lab New Drug Design, Shanghai, Peoples R ChinaEast China Univ Sci & Technol, Sch Pharm, Shanghai Key Lab New Drug Design, Shanghai, Peoples R China
Wu, Zengrui
Li, Weihua
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机构:
East China Univ Sci & Technol, Sch Pharm, Shanghai Key Lab New Drug Design, Shanghai, Peoples R ChinaEast China Univ Sci & Technol, Sch Pharm, Shanghai Key Lab New Drug Design, Shanghai, Peoples R China
Li, Weihua
Liu, Guixia
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机构:
East China Univ Sci & Technol, Sch Pharm, Shanghai Key Lab New Drug Design, Shanghai, Peoples R ChinaEast China Univ Sci & Technol, Sch Pharm, Shanghai Key Lab New Drug Design, Shanghai, Peoples R China
Liu, Guixia
Tang, Yun
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机构:
East China Univ Sci & Technol, Sch Pharm, Shanghai Key Lab New Drug Design, Shanghai, Peoples R ChinaEast China Univ Sci & Technol, Sch Pharm, Shanghai Key Lab New Drug Design, Shanghai, Peoples R China
机构:
Univ Helsinki, Inst Mol Med Finland FIMM, HiLIFE, Helsinki, Finland
Univ Helsinki, iCAN Digital Precis Canc Med Flagship, Helsinki, Finland
Helsinki Univ Hosp, Helsinki, FinlandUniv Helsinki, Inst Mol Med Finland FIMM, HiLIFE, Helsinki, Finland
Tanoli, Ziaurrehman
Schulman, Aron
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机构:
Univ Helsinki, Inst Mol Med Finland FIMM, HiLIFE, Helsinki, FinlandUniv Helsinki, Inst Mol Med Finland FIMM, HiLIFE, Helsinki, Finland
机构:
Univ Basque Country UPV EHU, Dept Organ Chem 2, Bilbao 48080, Spain
Basque Fdn Sci, IKERBASQUE, Bilbao 48011, SpainUniv Basque Country UPV EHU, Dept Organ Chem 2, Bilbao 48080, Spain