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Chetomin, a SARS-CoV-2 3C-like Protease (3CLpro) Inhibitor: In Silico Screening, Enzyme Docking, Molecular Dynamics and Pharmacokinetics Analysis.
Ibrahim, Mahmoud A A; Abdelrahman, Alaa H M; Mohamed, Dina E M; Abdeljawaad, Khlood A A; Naeem, Mohamed Ahmed; Gabr, Gamal A; Shawky, Ahmed M; Soliman, Mahmoud E S; Sidhom, Peter A; Paré, Paul W; Hegazy, Mohamed-Elamir F.
Afiliação
  • Ibrahim MAA; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia 61519, Egypt.
  • Abdelrahman AHM; School of Health Sciences, University of KwaZulu-Natal, Westville, Durban 4000, South Africa.
  • Mohamed DEM; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia 61519, Egypt.
  • Abdeljawaad KAA; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia 61519, Egypt.
  • Naeem MA; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia 61519, Egypt.
  • Gabr GA; Ain Shams University Specialized Hospital, Ain Shams University, Cairo 11588, Egypt.
  • Shawky AM; Department of Pharmacology and Toxicology, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al-Kharj 11942, Saudi Arabia.
  • Soliman MES; Agricultural Genetic Engineering Research Institute (AGERI), Agricultural Research Center, Giza 12619, Egypt.
  • Sidhom PA; Science and Technology Unit (STU), Umm Al-Qura University, Makkah 21955, Saudi Arabia.
  • Paré PW; Molecular Modelling and Drug Design Research Group, School of Health Sciences, University of KwaZulu-Natal, Westville, Durban 4000, South Africa.
  • Hegazy MF; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Tanta University, Tanta 31527, Egypt.
Viruses ; 15(1)2023 01 15.
Article em En | MEDLINE | ID: mdl-36680290
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Texto completo: 1 Coleções: 01-internacional Contexto em Saúde: 4_TD / 6_ODS3_enfermedades_notrasmisibles Base de dados: MEDLINE Assunto principal: SARS-CoV-2 / COVID-19 Tipo de estudo: Diagnostic_studies / Prognostic_studies / Screening_studies Limite: Humans Idioma: En Revista: Viruses Ano de publicação: 2023 Tipo de documento: Article
Texto completo
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Texto completo: 1 Coleções: 01-internacional Contexto em Saúde: 4_TD / 6_ODS3_enfermedades_notrasmisibles Base de dados: MEDLINE Assunto principal: SARS-CoV-2 / COVID-19 Tipo de estudo: Diagnostic_studies / Prognostic_studies / Screening_studies Limite: Humans Idioma: En Revista: Viruses Ano de publicação: 2023 Tipo de documento: Article