An Updated Review of Computer-Aided Drug Design and Its Application to COVID-19.
The recent outbreak of the deadly coronavirus disease 19 (COVID-19) pandemic poses serious health concerns around the world. The lack of approved drugs or vaccines continues to be a challenge and further necessitates the discovery of new therapeutic molecules. Computer-aided drug design has helped t...
| Publicado en: | BioMed Research International pp. 1 - 19 |
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| Autores principales: | , , , , |
| Formato: | pictorial review tables/charts Journal Article |
| Publicado: |
Wiley-Blackwell
6/29/2021
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| Acceso en línea: | Ver este registro en EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=ccm&AN=151153754&site=ehost-live header: @attributes: shortDbName: ccm uiTerm: 151153754 longDbName: CINAHL Complete uiTag: AN controlInfo: bkinfo: dissinfo: jinfo: jid: 23146133 FT2T jtl: BioMed Research International issn: 23146133 maglogo: N pubinfo: dt: 6/29/2021 pid: 480 pub: Wiley-Blackwell place: Malden, Massachusetts artinfo: ui: 151153754 151153754 151153754 10.1155/2021/8853056 151153754 ppf: 1 ppct: 18 formats: fmt: @attributes: type: P tig: atl: An Updated Review of Computer-Aided Drug Design and Its Application to COVID-19. aug: au: Gurung, Arun Bahadur Ali, Mohammad Ajmal Lee, Joongku Farah, Mohammad Abul Al-Anazi, Khalid Mashay affil: Department of Basic Sciences and Social Sciences, North-Eastern Hill University, Shillong, 793022 Meghalaya, India sug: subj: COVID-19 Drug Therapy Drug Design Methods Drug Discovery Computer-Aided Design Ligands Molecular Structure Molecular Docking Simulation Artificial Intelligence COVID-19 Pathology ab: The recent outbreak of the deadly coronavirus disease 19 (COVID-19) pandemic poses serious health concerns around the world. The lack of approved drugs or vaccines continues to be a challenge and further necessitates the discovery of new therapeutic molecules. Computer-aided drug design has helped to expedite the drug discovery and development process by minimizing the cost and time. In this review article, we highlight two important categories of computer-aided drug design (CADD), viz., the ligand-based as well as structured-based drug discovery. Various molecular modeling techniques involved in structure-based drug design are molecular docking and molecular dynamic simulation, whereas ligand-based drug design includes pharmacophore modeling, quantitative structure-activity relationship (QSARs), and artificial intelligence (AI). We have briefly discussed the significance of computer-aided drug design in the context of COVID-19 and how the researchers continue to rely on these computational techniques in the rapid identification of promising drug candidate molecules against various drug targets implicated in the pathogenesis of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). The structural elucidation of pharmacological drug targets and the discovery of preclinical drug candidate molecules have accelerated both structure-based as well as ligand-based drug design. This review article will help the clinicians and researchers to exploit the immense potential of computer-aided drug design in designing and identification of drug molecules and thereby helping in the management of fatal disease. pubtype: Academic Journal doctype: pictorial review tables/charts Journal Article ougenre: Article language: English refInfo: holdings: @attributes: islocal: N |
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