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A review on computer-aided chemogenomics and drug repositioning for rational COVID-19 drug discovery.
Maghsoudi, Saeid; Taghavi Shahraki, Bahareh; Rameh, Fatemeh; Nazarabi, Masoomeh; Fatahi, Yousef; Akhavan, Omid; Rabiee, Mohammad; Mostafavi, Ebrahim; Lima, Eder C; Saeb, Mohammad Reza; Rabiee, Navid.
  • Maghsoudi S; Faculty of Medicine, Department of Physiology and Pathophysiology, University of Manitoba, Winnipeg, Manitoba, Canada.
  • Taghavi Shahraki B; Biology of Breathing Group, Children's Hospital Research Institute of Manitoba (CHRIM), University of Manitoba, Winnipeg, Manitoba, Canada.
  • Rameh F; Department of Medicinal Chemistry, Shiraz University of Technology, Shiraz, Iran.
  • Nazarabi M; Faculty of Chemistry, Damghan University, Damghan, Iran.
  • Fatahi Y; Faculty of Organic Chemistry, Department of Chemistry, University of Kashan, Kashan, Iran.
  • Akhavan O; Department of Pharmaceutical Nanotechnology, Faculty of Pharmacy, Tehran University of Medical Sciences, Tehran, Iran.
  • Rabiee M; Nanotechnology Research Center, Faculty of Pharmacy, Tehran University of Medical Sciences, Tehran, Iran.
  • Mostafavi E; Department of Physics, Sharif University of Technology, Tehran, Iran.
  • Lima EC; Biomaterials Group, Department of Biomedical Engineering, Amirkabir University of Technology, Tehran, Iran.
  • Saeb MR; Stanford Cardiovascular Institute, Stanford University School of Medicine, Stanford, California, USA.
  • Rabiee N; Department of Medicine, Stanford University School of Medicine, Stanford, California, USA.
Chem Biol Drug Des ; 100(5): 699-721, 2022 11.
Article in English | MEDLINE | ID: covidwho-2001616
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.
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Full text: Available Collection: International databases Database: MEDLINE Main subject: Drug Repositioning / COVID-19 Drug Treatment Type of study: Prognostic study / Randomized controlled trials Topics: Variants Limits: Humans Language: English Journal: Chem Biol Drug Des Journal subject: Biochemistry / Pharmacy / Pharmacology Year: 2022 Document Type: Article Affiliation country: Cbdd.14136

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Full text: Available Collection: International databases Database: MEDLINE Main subject: Drug Repositioning / COVID-19 Drug Treatment Type of study: Prognostic study / Randomized controlled trials Topics: Variants Limits: Humans Language: English Journal: Chem Biol Drug Des Journal subject: Biochemistry / Pharmacy / Pharmacology Year: 2022 Document Type: Article Affiliation country: Cbdd.14136