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Pharmacophore based virtual screening, molecular docking, molecular dynamics and MM-GBSA approach for identification of prospective SARS-CoV-2 inhibitor from natural product databases.
Kumar, Banoth Karan; Sekhar, Kondapalli Venkata Gowri Chandra; Ojha, Rupal; Prajapati, Vijay Kumar; Pai, Aravinda; Murugesan, Sankaranarayanan.
Afiliação
  • Kumar BK; Medicinal Chemistry Research Laboratory, Department of Pharmacy, Birla Institute of Technology and Science-Pilani, Pilani, India.
  • Faheem; Medicinal Chemistry Research Laboratory, Department of Pharmacy, Birla Institute of Technology and Science-Pilani, Pilani, India.
  • Sekhar KVGC; Department of Chemistry, Birla Institute of Technology and Science-Pilani, Hyderabad, India.
  • Ojha R; Department of Biochemistry, School of Life Sciences, Central University of Rajasthan, Kishangarh, India.
  • Prajapati VK; Department of Biochemistry, School of Life Sciences, Central University of Rajasthan, Kishangarh, India.
  • Pai A; Department of Pharmaceutical Chemistry, Manipal College of Pharmaceutical Sciences (MCOPS); MAHE, Manipal, India.
  • Murugesan S; Medicinal Chemistry Research Laboratory, Department of Pharmacy, Birla Institute of Technology and Science-Pilani, Pilani, India.
J Biomol Struct Dyn ; 40(3): 1363-1386, 2022 02.
Article em En | MEDLINE | ID: mdl-32981461
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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Produtos Biológicos / COVID-19 Tipo de estudo: Diagnostic_studies / Observational_studies / Prognostic_studies / Screening_studies Limite: Humans Idioma: En Ano de publicação: 2022 Tipo de documento: Article
Texto completo
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Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Assunto principal: Produtos Biológicos / COVID-19 Tipo de estudo: Diagnostic_studies / Observational_studies / Prognostic_studies / Screening_studies Limite: Humans Idioma: En Ano de publicação: 2022 Tipo de documento: Article