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Identification of some novel oxazine substituted 9-anilinoacridines as SARS-CoV-2 inhibitors for COVID-19 by molecular docking, free energy calculation and molecular dynamics studies.
Rajagopal, Kalirajan; Varakumar, Potlapati; Aparna, Baliwada; Byran, Gowramma; Jupudi, Srikanth.
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  • Rajagopal K; Department of Pharmaceutical Chemistry, JSS College of Pharmacy [A Constituent College of JSS Academy of Higher Education & Research-(Deemed to be University)], Ooty, Tamilnadu, India.
  • Varakumar P; Department of Pharmaceutical Chemistry, JSS College of Pharmacy [A Constituent College of JSS Academy of Higher Education & Research-(Deemed to be University)], Ooty, Tamilnadu, India.
  • Aparna B; Department of Pharmaceutical Chemistry, JSS College of Pharmacy [A Constituent College of JSS Academy of Higher Education & Research-(Deemed to be University)], Ooty, Tamilnadu, India.
  • Byran G; Department of Pharmaceutical Chemistry, JSS College of Pharmacy [A Constituent College of JSS Academy of Higher Education & Research-(Deemed to be University)], Ooty, Tamilnadu, India.
  • Jupudi S; Department of Pharmaceutical Chemistry, JSS College of Pharmacy [A Constituent College of JSS Academy of Higher Education & Research-(Deemed to be University)], Ooty, Tamilnadu, India.
J Biomol Struct Dyn ; 39(15): 5551-5562, 2021 Sep.
Article en En | MEDLINE | ID: mdl-32720578
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Texto completo: 1 Bases de datos: MEDLINE Asunto principal: Simulación de Dinámica Molecular / Tratamiento Farmacológico de COVID-19 Tipo de estudio: Diagnostic_studies / Prognostic_studies Límite: Humans Idioma: En Revista: J Biomol Struct Dyn Año: 2021 Tipo del documento: Article País de afiliación: India
Texto completo
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Texto completo: 1 Bases de datos: MEDLINE Asunto principal: Simulación de Dinámica Molecular / Tratamiento Farmacológico de COVID-19 Tipo de estudio: Diagnostic_studies / Prognostic_studies Límite: Humans Idioma: En Revista: J Biomol Struct Dyn Año: 2021 Tipo del documento: Article País de afiliación: India