Computational drug repurposing for viral infectious diseases: a case study on monkeypox

被引:5
作者
Saha, Sovan [1 ]
Chatterjee, Piyali [1 ,2 ,3 ]
Nasipuri, Mita [1 ,4 ]
Basu, Subhadip [1 ,4 ]
Chakraborti, Tapabrata [1 ,5 ,6 ]
机构
[1] Techno Main SaltLake, Dept Comp Sci & Engn Artificial Intelligence & Mac, Kolkata, India
[2] Netaji Subhash Engn Coll, Dept Comp Sci & Engn, Garia, India
[3] Netaji Subhash Engn Coll, Dept Comp Sci & Engn, Garia, India
[4] Jadavpur Univ, Dept Comp Sci & Engn, Kolkata, India
[5] Alan Turing Inst, London, England
[6] UCL, London, England
关键词
monkeypox; drug consensus score (DCS); protein-protein interaction network (PPIN); network-based drug repurposing; monkeypox-human PPIN; spreader nodes; CONNECTIVITY MAP; SMALL MOLECULES; VIRUS; IDENTIFICATION; EPIDEMIOLOGY; DISCOVERY; DOCKING; GENES; CONGO;
D O I
10.1093/bfgp/elad058
中图分类号
Q81 [生物工程学(生物技术)]; Q93 [微生物学];
学科分类号
071005 ; 0836 ; 090102 ; 100705 ;
摘要
The traditional method of drug reuse or repurposing has significantly contributed to the identification of new antiviral compounds and therapeutic targets, enabling rapid response to developing infectious illnesses. This article presents an overview of how modern computational methods are used in drug repurposing for the treatment of viral infectious diseases. These methods utilize data sets that include reviewed information on the host's response to pathogens and drugs, as well as various connections such as gene expression patterns and protein-protein interaction networks. We assess the potential benefits and limitations of these methods by examining monkeypox as a specific example, but the knowledge acquired can be applied to other comparable disease scenarios.
引用
收藏
页码:570 / 578
页数:9
相关论文
共 85 条
[1]  
[Anonymous], 2023, OPPORTUNITIES REPURP
[2]   Molecular docking of monkeypox (mpox) virus proteinase with FDA approved lead molecules [J].
Arasu, M. Valan ;
Vijayaragavan, P. ;
Purushothaman, Sumitha ;
Rathi, M. A. ;
Al-Dhabi, Naif Abdullah ;
Gopalakrishnan, V. K. ;
Choi, Ki Choon ;
Ilavenil, S. .
JOURNAL OF INFECTION AND PUBLIC HEALTH, 2023, 16 (05) :784-791
[3]   Drug repositioning: Identifying and developing new uses for existing drugs [J].
Ashburn, TT ;
Thor, KB .
NATURE REVIEWS DRUG DISCOVERY, 2004, 3 (08) :673-683
[4]   UniProt: the Universal Protein Knowledgebase in 2023 [J].
Bateman, Alex ;
Martin, Maria-Jesus ;
Orchard, Sandra ;
Magrane, Michele ;
Ahmad, Shadab ;
Alpi, Emanuele ;
Bowler-Barnett, Emily H. ;
Britto, Ramona ;
Cukura, Austra ;
Denny, Paul ;
Dogan, Tunca ;
Ebenezer, ThankGod ;
Fan, Jun ;
Garmiri, Penelope ;
Gonzales, Leonardo Jose da Costa ;
Hatton-Ellis, Emma ;
Hussein, Abdulrahman ;
Ignatchenko, Alexandr ;
Insana, Giuseppe ;
Ishtiaq, Rizwan ;
Joshi, Vishal ;
Jyothi, Dushyanth ;
Kandasaamy, Swaathi ;
Lock, Antonia ;
Luciani, Aurelien ;
Lugaric, Marija ;
Luo, Jie ;
Lussi, Yvonne ;
MacDougall, Alistair ;
Madeira, Fabio ;
Mahmoudy, Mahdi ;
Mishra, Alok ;
Moulang, Katie ;
Nightingale, Andrew ;
Pundir, Sangya ;
Qi, Guoying ;
Raj, Shriya ;
Raposo, Pedro ;
Rice, Daniel L. ;
Saidi, Rabie ;
Santos, Rafael ;
Speretta, Elena ;
Stephenson, James ;
Totoo, Prabhat ;
Turner, Edward ;
Tyagi, Nidhi ;
Vasudev, Preethi ;
Warner, Kate ;
Watkins, Xavier ;
Zellner, Hermann .
NUCLEIC ACIDS RESEARCH, 2023, 51 (D1) :D523-D531
[5]   Overcoming the legal and regulatory barriers to drug repurposing [J].
Breckenridge, Alasdair ;
Jacob, Robin .
NATURE REVIEWS DRUG DISCOVERY, 2019, 18 (01) :1-2
[6]   Protein-Protein Interactions in Virus-Host Systems [J].
Brito, Anderson F. ;
Pinney, John W. .
FRONTIERS IN MICROBIOLOGY, 2017, 8
[7]   Drug target identification using side-effect similarity [J].
Campillos, Monica ;
Kuhn, Michael ;
Gavin, Anne-Claude ;
Jensen, Lars Juhl ;
Bork, Peer .
SCIENCE, 2008, 321 (5886) :263-266
[8]   Virulence differences between monkeypox virus isolates from West Africa and the Congo basin [J].
Chen, NH ;
Li, GY ;
Liszewski, MK ;
Atkinson, JP ;
Jahrling, PB ;
Feng, ZH ;
Schriewer, J ;
Buck, C ;
Wang, CL ;
Lefkowitz, EJ ;
Esposito, JJ ;
Harms, T ;
Damon, IK ;
Roper, RL ;
Upton, C ;
Buller, RML .
VIROLOGY, 2005, 340 (01) :46-63
[9]   Structures of G protein-coupled receptors reveal new opportunities for drug discovery [J].
Cooke, Robert M. ;
Brown, Alastair J. H. ;
Marshall, Fiona H. ;
Mason, Jonathan S. .
DRUG DISCOVERY TODAY, 2015, 20 (11) :1355-1364
[10]   Predicting New Indications for Approved Drugs Using a Proteochemometric Method [J].
Dakshanamurthy, Sivanesan ;
Issa, Naiem T. ;
Assefnia, Shahin ;
Seshasayee, Ashwini ;
Peters, Oakland J. ;
Madhavan, Subha ;
Uren, Aykut ;
Brown, Milton L. ;
Byers, Stephen W. .
JOURNAL OF MEDICINAL CHEMISTRY, 2012, 55 (15) :6832-6848