Discovery of Bispecific Lead Compounds from <i>Azadirachta indica</i> against ZIKA NS2B-NS3 Protease and NS5 RNA Dependent RNA Polymerase Using Molecular Simulations.

Kumar, Sanjay; El-Kafrawy, Sherif A; Bharadwaj, Shiv; Maitra, S S; Alandijany, Thamir A; Faizo, Arwa A; Khateb, Aiah M; Dwivedi, Vivek Dhar; Azhar, Esam I

Discovery of Bispecific Lead Compounds from Azadirachta indica against ZIKA NS2B-NS3 Protease and NS5 RNA Dependent RNA Polymerase Using Molecular Simulations.

Kumar, Sanjay; El-Kafrawy, Sherif A; Bharadwaj, Shiv; Maitra, S S; Alandijany, Thamir A; Faizo, Arwa A; Khateb, Aiah M; Dwivedi, Vivek Dhar; Azhar, Esam I.

Afiliação

Kumar S; School of Biotechnology, Jawaharlal Nehru University, New Delhi 110067, India.
El-Kafrawy SA; Center for Bioinformatics, Computational and Systems Biology, Pathfinder Research and Training Foundation, Greater Noida 201308, India.
Bharadwaj S; Special Infectious Agents Unit, King Fahd Medical Research Center, King Abdulaziz University, P.O. Box 128442, Jeddah 21362, Saudi Arabia.
Maitra SS; Department of Medical Laboratory Sciences, Faculty of Applied Medical Science, King Abdulaziz University, Jeddah 21589, Saudi Arabia.
Alandijany TA; Laboratory of Ligand Engineering, Institute of Biotechnology of the Czech Academy of Sciences v.v.i., BIOCEV Research Center, 252 50 Vestec, Czech Republic.
Faizo AA; School of Biotechnology, Jawaharlal Nehru University, New Delhi 110067, India.
Khateb AM; Special Infectious Agents Unit, King Fahd Medical Research Center, King Abdulaziz University, P.O. Box 128442, Jeddah 21362, Saudi Arabia.
Dwivedi VD; Department of Medical Laboratory Sciences, Faculty of Applied Medical Science, King Abdulaziz University, Jeddah 21589, Saudi Arabia.
Azhar EI; Special Infectious Agents Unit, King Fahd Medical Research Center, King Abdulaziz University, P.O. Box 128442, Jeddah 21362, Saudi Arabia.

Molecules ; 27(8)2022 Apr 15.

Article em En | MEDLINE | ID: mdl-35458761

Assuntos

Azadirachta; Infecção por Zika virus; Zika virus; Antivirais/química; Azadirachta/química; Flavonoides/química; Humanos; Chumbo/farmacologia; Simulação de Acoplamento Molecular; Peptídeo Hidrolases/farmacologia; Inibidores de Proteases/química; RNA Polimerase Dependente de RNA; Proteínas não Estruturais Virais/metabolismo; Infecção por Zika virus/tratamento farmacológico

Palavras-chave

Azadirachta indica; NS2B-NS3 protease; NS5 RdRp; Zika virus; flavonoids; molecular dynamics; therapeutics

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Azadirachta / Zika virus / Infecção por Zika virus Limite: Humans Idioma: En Revista: Molecules Assunto da revista: BIOLOGIA Ano de publicação: 2022 Tipo de documento: Article País de afiliação: Índia

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