Targeting COVID-19 pandemic: in silico evaluation of 2-hydroxy-1, 2-diphenylethanone N(4)-methyl-N(4)-phenylthiosemicarbazone as a potential inhibitor of SARS-CoV-2.

Jeevana, Rajan; Kavitha, Abu Pilakkaveettil; Abi, Thoppilan G; Sajith, Pookkottu K; Varughese, Jibin K; Aravindakshan, Kuttamath Kunniyur

Jeevana, Rajan; Kavitha, Abu Pilakkaveettil; Abi, Thoppilan G; Sajith, Pookkottu K; Varughese, Jibin K; Aravindakshan, Kuttamath Kunniyur.

Afiliação

Jeevana R; PG & Research Department of Chemistry, Govt. College, Madappally, Kozhikode, 673102 Kerala India.
Kavitha AP; PG & Research Department of Chemistry, Farook College (Autonomous), Kozhikode, 673632 Kerala India.
Abi TG; PG & Research Department of Chemistry, Sacred Heart College (Autonomous), Kochi, 682013 Kerala India.
Sajith PK; PG & Research Department of Chemistry, Farook College (Autonomous), Kozhikode, 673632 Kerala India.
Varughese JK; PG & Research Department of Chemistry, Sacred Heart College (Autonomous), Kochi, 682013 Kerala India.
Aravindakshan KK; Department of Chemistry, University of Calicut, Malappuram, 673635 Kerala India.

Struct Chem ; : 1-17, 2022 Oct 17.

Article em En | MEDLINE | ID: mdl-36274924

Palavras-chave

COVID-19; MM-PBSA; Molecular docking; Molecular dynamics; Pharmacokinetic properties; SARS-CoV-2; Thiosemicarbazone

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Texto completo: 1 Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Ano de publicação: 2022 Tipo de documento: Article

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Texto completo: 1 Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Ano de publicação: 2022 Tipo de documento: Article