A Review on Computer-Aided Chemogenomics and Drug Repositioning for Rational Covid-19 Drug Discovery

A Review on Computer-Aided Chemogenomics and Drug Repositioning for Rational Covid-19 Drug Discovery Publisher Pubmed

Maghsoudi S^{1, 2} ; Taghavi Shahraki B³ ; Rameh F⁴ ; Nazarabi M⁵ ; Fatahi Y^{6, 7} ; Akhavan O⁸ ; Rabiee M⁹ ; Mostafavi E^{10, 11} ; Lima EC¹² ; Saeb MR¹³ ; Rabiee N^{8, 14, 15}

Show Affiliations

1. Faculty of Medicine, Department of Physiology and Pathophysiology, University of Manitoba, Winnipeg, MB, Canada
2. Biology of Breathing Group, Children's Hospital Research Institute of Manitoba (CHRIM), University of Manitoba, Winnipeg, MB, Canada
3. Department of Medicinal Chemistry, Shiraz University of Technology, Shiraz, Iran
4. Faculty of Chemistry, Damghan University, Damghan, Iran
5. Faculty of Organic Chemistry, Department of Chemistry, University of Kashan, Kashan, Iran
6. Department of Pharmaceutical Nanotechnology, Faculty of Pharmacy, Tehran University of Medical Sciences, Tehran, Iran
7. Nanotechnology Research Center, Faculty of Pharmacy, Tehran University of Medical Sciences, Tehran, Iran
8. Department of Physics, Sharif University of Technology, Tehran, Iran
9. Biomaterials Group, Department of Biomedical Engineering, Amirkabir University of Technology, Tehran, Iran
10. Stanford Cardiovascular Institute, Stanford University School of Medicine, Stanford, CA, United States
11. Department of Medicine, Stanford University School of Medicine, Stanford, CA, United States
12. Institute of Chemistry, Federal University of Rio Grande Do Sul (UFRGS), Porto Alegre, Brazil
13. Department of Polymer Technology, Faculty of Chemistry, Gdansk University of Technology, Gdansk, Poland
14. School of Engineering, Macquarie University, Sydney, NSW, Australia
15. Department of Materials Science and Engineering, Pohang University of Science and Technology (POSTECH), Pohang, South Korea

Source: Chemical Biology and Drug Design Published:2022

Abstract

Application of materials capable of energy harvesting to increase the efficiency and environmental adaptability is sometimes reflected in the ability of discovery of some traces in an environment―either experimentally or computationally―to enlarge practical application window. The emergence of computational methods, particularly computer-aided drug discovery (CADD), provides ample opportunities for the rapid discovery and development of unprecedented drugs. The expensive and time-consuming process of traditional drug discovery is no longer feasible, for nowadays the identification of potential drug candidates is much easier for therapeutic targets through elaborate in silico approaches, allowing the prediction of the toxicity of drugs, such as drug repositioning (DR) and chemical genomics (chemogenomics). Coronaviruses (CoVs) are cross-species viruses that are able to spread expeditiously from the into new host species, which in turn cause epidemic diseases. In this sense, this review furnishes an outline of computational strategies and their applications in drug discovery. A special focus is placed on chemogenomics and DR as unique and emerging system-based disciplines on CoV drug and target discovery to model protein networks against a library of compounds. Furthermore, to demonstrate the special advantages of CADD methods in rapidly finding a drug for this deadly virus, numerous examples of the recent achievements grounded on molecular docking, chemogenomics, and DR are reported, analyzed, and interpreted in detail. It is believed that the outcome of this review assists developers of energy harvesting materials and systems for detection of future unexpected kinds of CoVs or other variants. © 2022 The Authors. Chemical Biology & Drug Design published by John Wiley & Sons Ltd.

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Style	Citing Format
MLA	Maghsoudi S, et al.. "A Review on Computer-Aided Chemogenomics and Drug Repositioning for Rational Covid-19 Drug Discovery." Chemical Biology and Drug Design, vol. 100, no. 5, 2022, pp. 699-721.
APA	Maghsoudi S, Taghavi Shahraki B, Rameh F, Nazarabi M, Fatahi Y, Akhavan O, Rabiee M, Mostafavi E, Lima EC, Saeb MR, Rabiee N (2022). A Review on Computer-Aided Chemogenomics and Drug Repositioning for Rational Covid-19 Drug Discovery. Chemical Biology and Drug Design, 100(5), 699-721.
Chicago	Maghsoudi S, Taghavi Shahraki B, Rameh F, Nazarabi M, Fatahi Y, Akhavan O, Rabiee M, et al.. "A Review on Computer-Aided Chemogenomics and Drug Repositioning for Rational Covid-19 Drug Discovery." Chemical Biology and Drug Design 100, no. 5 (2022): 699-721.
Harvard	Maghsoudi S et al. (2022) 'A Review on Computer-Aided Chemogenomics and Drug Repositioning for Rational Covid-19 Drug Discovery', Chemical Biology and Drug Design, 100(5), pp. 699-721.
Vancouver	Maghsoudi S, Taghavi Shahraki B, Rameh F, Nazarabi M, Fatahi Y, Akhavan O, et al.. A Review on Computer-Aided Chemogenomics and Drug Repositioning for Rational Covid-19 Drug Discovery. Chemical Biology and Drug Design. 2022;100(5):699-721.
BibTex	@article{ author = {Maghsoudi S and Taghavi Shahraki B and Rameh F and Nazarabi M and Fatahi Y and Akhavan O and Rabiee M and Mostafavi E and Lima EC and Saeb MR and Rabiee N}, title = {A Review on Computer-Aided Chemogenomics and Drug Repositioning for Rational Covid-19 Drug Discovery}, journal = {Chemical Biology and Drug Design}, volume = {100}, number = {5}, pages = {699-721}, year = {2022} }
RIS	TY - JOUR AU - Maghsoudi S AU - Taghavi Shahraki B AU - Rameh F AU - Nazarabi M AU - Fatahi Y AU - Akhavan O AU - Rabiee M AU - Mostafavi E AU - Lima EC AU - Saeb MR AU - Rabiee N TI - A Review on Computer-Aided Chemogenomics and Drug Repositioning for Rational Covid-19 Drug Discovery JO - Chemical Biology and Drug Design VL - 100 IS - 5 SP - 699 EP - 721 PY - 2022 ER -

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