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Computer Analysis of the Inhibition of ACE2 by Flavonoids and Identification of Their Potential Antiviral Pharmacophore Site.
Bogoyavlenskiy, Andrey; Alexyuk, Madina; Alexyuk, Pavel; Berezin, Vladimir; Almalki, Faisal A; Ben Hadda, Taibi; Alqahtani, Alaa M; Ahmed, Saleh A; Dall'Acqua, Stefano; Jamalis, Joazaizulfazli.
  • Bogoyavlenskiy A; Research and Production Center for Microbiology and Virology, Almaty 050010, Kazakhstan.
  • Alexyuk M; Research and Production Center for Microbiology and Virology, Almaty 050010, Kazakhstan.
  • Alexyuk P; Research and Production Center for Microbiology and Virology, Almaty 050010, Kazakhstan.
  • Berezin V; Research and Production Center for Microbiology and Virology, Almaty 050010, Kazakhstan.
  • Almalki FA; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah 21955, Saudi Arabia.
  • Ben Hadda T; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah 21955, Saudi Arabia.
  • Alqahtani AM; Laboratory of Applied Chemistry & Environment, Faculty of Sciences, Mohammed Premier University, MB 524, Oujda 60000, Morocco.
  • Ahmed SA; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah 21955, Saudi Arabia.
  • Dall'Acqua S; Department of Chemistry, Faculty of Applied Science, Umm Al-Qura University, Makkah 21955, Saudi Arabia.
  • Jamalis J; Department of Pharmaceutical and Pharmacological Sciences, University of Padova, Via Marzolo 5, 35121 Padova, Italy.
Molecules ; 28(9)2023 Apr 27.
Article in English | MEDLINE | ID: covidwho-2313124
ABSTRACT
In the present study, we investigated the antiviral activities of 17 flavonoids as natural products. These derivatives were evaluated for their in vitro antiviral activities against HIV and SARS-CoV-2. Their antiviral activity was evaluated for the first time based on POM (Petra/Osiris/Molispiration) theory and docking analysis. POM calculation was used to analyze the atomic charge and geometric characteristics. The side effects, drug similarities, and drug scores were also assumed for the stable structure of each compound. These results correlated with the experimental values. The bioinformatics POM analyses of the relative antiviral activities of these derivatives are reported for the first time.
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Full text: Available Collection: International databases Database: MEDLINE Main subject: Antiviral Agents / COVID-19 Type of study: Experimental Studies / Prognostic study Limits: Humans Language: English Journal subject: Biology Year: 2023 Document Type: Article Affiliation country: Molecules28093766

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Full text: Available Collection: International databases Database: MEDLINE Main subject: Antiviral Agents / COVID-19 Type of study: Experimental Studies / Prognostic study Limits: Humans Language: English Journal subject: Biology Year: 2023 Document Type: Article Affiliation country: Molecules28093766