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Exploration of Anti-HIV Phytocompounds against SARS-CoV-2 Main Protease: Structure-Based Screening, Molecular Simulation, ADME Analysis and Conceptual DFT Studies.
Murali, Mahadevamurthy; Gowtham, Hittanahallikoppal Gajendramurthy; Shilpa, Natarajamurthy; Krishnappa, Hemanth Kumar Naguvanahalli; Ledesma, Ana E; Jain, Anisha S; Shati, Ali A; Alfaifi, Mohammad Y; Elbehairi, Serag Eldin I; Achar, Raghu Ram; Silina, Ekaterina; Stupin, Victor; Ortega-Castro, Joaquín; Frau, Juan; Flores-Holguín, Norma; Amruthesh, Kestur Nagaraj; Shivamallu, Chandan; Kollur, Shiva Prasad; Glossman-Mitnik, Daniel.
Afiliação
  • Murali M; Department of Studies in Botany, University of Mysore, Mysore 570006, India.
  • Gowtham HG; Department of PG Studies in Biotechnology, Nrupathunga University, Nrupathunga Road, Bangalore 560001, India.
  • Shilpa N; Department of Studies in Microbiology, University of Mysore, Mysore 570006, India.
  • Krishnappa HKN; Post Graduate Department of Botany, Maharani's Science College for Women, JLB Road, Mysuru 570005, India.
  • Ledesma AE; Centro de InvestigaciónenBiofísicaAplicada y Alimentos, Facultad de Ciencias Exactas y Tecnologías (FCEyN), Universidad Nacional de Santiago del Estero (CIBAAL-UNSE-CONICET), Santiago del Estero 4206, Argentina.
  • Jain AS; Department of Microbiology, JSS Academy of Higher Education and Research, Mysuru 570015, India.
  • Shati AA; Biology Department, Faculty of Science, King Khalid University, Abha 9004, Saudi Arabia.
  • Alfaifi MY; Biology Department, Faculty of Science, King Khalid University, Abha 9004, Saudi Arabia.
  • Elbehairi SEI; Biology Department, Faculty of Science, King Khalid University, Abha 9004, Saudi Arabia.
  • Achar RR; Cell Culture Lab, Egyptian Organization for Biological Products and Vaccines (VACSERA Holding Company), 51 Wezaret El-Zeraa St., Giza 12511, Egypt.
  • Silina E; Division of Biochemistry, School of Life Sciences, JSS Academy of Higher Education and Research, Mysuru 570015, India.
  • Stupin V; Department of Hospital Surgery, N.I. Pirogov Russian National Research Medical University, Moscow 117997, Russia.
  • Ortega-Castro J; Department of Hospital Surgery, N.I. Pirogov Russian National Research Medical University, Moscow 117997, Russia.
  • Frau J; Departament de Química, Facultat de Ciences, Universitat de les IllesBalears, E-07122 Palma de Malllorca, Spain.
  • Flores-Holguín N; Departament de Química, Facultat de Ciences, Universitat de les IllesBalears, E-07122 Palma de Malllorca, Spain.
  • Amruthesh KN; Laboratorio Virtual NANOCOSMOS, Departamento de Medio Ambiente y Energía, Centro de Investigaciónen Materiales Avanzados, Chihuahua 31136, Mexico.
  • Shivamallu C; Department of Studies in Botany, University of Mysore, Mysore 570006, India.
  • Kollur SP; Department of Biotechnology and Bioinformatics, JSS Academy of Higher Education and Research, Mysuru 570015, India.
  • Glossman-Mitnik D; School of Physical Sciences, Amrita Vishwa Vidyapeetham, Mysuru Campus, Mysuru 570026, India.
Molecules ; 27(23)2022 Nov 28.
Article em En | MEDLINE | ID: mdl-36500380
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: SARS-CoV-2 / COVID-19 Tipo de estudo: Diagnostic_studies / Prognostic_studies / Screening_studies Limite: Humans Idioma: En Revista: Molecules Assunto da revista: BIOLOGIA Ano de publicação: 2022 Tipo de documento: Article País de afiliação: Índia País de publicação: Suíça
Texto completo
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: SARS-CoV-2 / COVID-19 Tipo de estudo: Diagnostic_studies / Prognostic_studies / Screening_studies Limite: Humans Idioma: En Revista: Molecules Assunto da revista: BIOLOGIA Ano de publicação: 2022 Tipo de documento: Article País de afiliação: Índia País de publicação: Suíça