Ligand-based quantitative structural assessments of SARS-CoV-2 3CL<sup>pro</sup> inhibitors: An analysis in light of structure-based multi-molecular modeling evidences.

Adhikari, Nilanjan; Banerjee, Suvankar; Baidya, Sandip Kumar; Ghosh, Balaram; Jha, Tarun

Ligand-based quantitative structural assessments of SARS-CoV-2 3CL^pro inhibitors: An analysis in light of structure-based multi-molecular modeling evidences.

Adhikari, Nilanjan; Banerjee, Suvankar; Baidya, Sandip Kumar; Ghosh, Balaram; Jha, Tarun.

Afiliação

Adhikari N; Natural Science Laboratory, Division of Medicinal and Pharmaceutical Chemistry, Department of Pharmaceutical Technology, Jadavpur University, Kolkata 700032, India.
Banerjee S; Natural Science Laboratory, Division of Medicinal and Pharmaceutical Chemistry, Department of Pharmaceutical Technology, Jadavpur University, Kolkata 700032, India.
Baidya SK; Natural Science Laboratory, Division of Medicinal and Pharmaceutical Chemistry, Department of Pharmaceutical Technology, Jadavpur University, Kolkata 700032, India.
Ghosh B; Epigenetic Research Laboratory, Birla Institute of Technology and Science-Pilani Hyderabad Campus, Shamirpet, Hyderabad, India, 500078.
Jha T; Natural Science Laboratory, Division of Medicinal and Pharmaceutical Chemistry, Department of Pharmaceutical Technology, Jadavpur University, Kolkata 700032, India.

J Mol Struct ; 1251: 132041, 2022 Mar 05.

Article em En | MEDLINE | ID: mdl-34866654

Palavras-chave

ANN; COVID-19; HQSAR; QSAR; SARS-CoV-2 3CLpro; SVM

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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