Drug-Target Interactions: Prediction Methods and Applications

被引:27
作者
Anusuya, Shanmugam [1 ]
Kesherwani, Manish [2 ]
Priya, K. Vishnu [1 ]
Vimala, Antonydhason [1 ]
Shanmugam, Gnanendra [3 ]
Velmurugan, Devadasan [2 ,4 ]
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
关键词
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.
引用
收藏
页码:537 / 561
页数:25
相关论文
共 146 条
  • [1] Identification of Novel Urease Inhibitors by High-Throughput Virtual and in Vitro Screening
    Abid, Obaid-ur-Rahman
    Babar, Tariq Mahmood
    Ali, Farukh Iftakhar
    Ahmed, Shahzad
    Wadood, Abdul
    Rama, Nasim Hasan
    Uddin, Reaz
    ul-Haq, Zaheer
    Khan, Ajmal
    Choudhary, M. Iqbal
    [J]. ACS MEDICINAL CHEMISTRY LETTERS, 2010, 1 (04): : 145 - 149
  • [2] Drug-target interaction prediction through domain-tuned network-based inference
    Alaimo, Salvatore
    Pulvirenti, Alfredo
    Giugno, Rosalba
    Ferro, Alfredo
    [J]. BIOINFORMATICS, 2013, 29 (16) : 2004 - 2008
  • [3] Structure-based design of phthalimide derivatives as potential cyclooxygenase-2 (COX-2) inhibitors: Anti-inflammatory and analgesic activities
    Alanazi, Amer M.
    El-Azab, Adel S.
    Al-Suwaidan, Ibrahim A.
    ElTahir, Kamal Eldin H.
    Asiri, Yousif A.
    Abdel-Aziz, Naglaa I.
    Abdel-Aziz, Alaa A. -M.
    [J]. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2015, 92 : 115 - 123
  • [4] Synthesis and cholinesterase inhibition of cativic acid derivatives
    Alza, Natalia P.
    Richmond, Victoria
    Baier, Carlos J.
    Freire, Eleonora
    Baggio, Ricardo
    Paula Murray, Ana
    [J]. BIOORGANIC & MEDICINAL CHEMISTRY, 2014, 22 (15) : 3838 - 3849
  • [5] Identification of dengue viral RNA-dependent RNA polymerase inhibitor using computational fragment-based approaches and molecular dynamics study
    Anusuya, Shanmugam
    Velmurugan, Devadasan
    Gromiha, M. Michael
    [J]. JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2016, 34 (07) : 1512 - 1532
  • [6] The eradication of leprosy: molecular modeling techniques for novel drug discovery
    Anusuya, Shanmugam
    Natarajan, Jeyakumar
    [J]. EXPERT OPINION ON DRUG DISCOVERY, 2013, 8 (10) : 1239 - 1251
  • [7] NEW METHOD FOR PREDICTING BINDING-AFFINITY IN COMPUTER-AIDED DRUG DESIGN
    AQVIST, J
    MEDINA, C
    SAMUELSSON, JE
    [J]. PROTEIN ENGINEERING, 1994, 7 (03): : 385 - 391
  • [8] Drug repositioning: Identifying and developing new uses for existing drugs
    Ashburn, TT
    Thor, KB
    [J]. NATURE REVIEWS DRUG DISCOVERY, 2004, 3 (08) : 673 - 683
  • [9] Gene Ontology: tool for the unification of biology
    Ashburner, M
    Ball, CA
    Blake, JA
    Botstein, D
    Butler, H
    Cherry, JM
    Davis, AP
    Dolinski, K
    Dwight, SS
    Eppig, JT
    Harris, MA
    Hill, DP
    Issel-Tarver, L
    Kasarskis, A
    Lewis, S
    Matese, JC
    Richardson, JE
    Ringwald, M
    Rubin, GM
    Sherlock, G
    [J]. NATURE GENETICS, 2000, 25 (01) : 25 - 29
  • [10] An ensemble framework for clustering protein-protein interaction networks
    Asur, Sitaram
    Ucar, Duygu
    Parthasarathy, Srinivasan
    [J]. BIOINFORMATICS, 2007, 23 (13) : I29 - I40