Target prioritization of novel substituted 5-aryl-2-oxo-/thioxo-2,3-dihydro-1H-benzo[6,7]chromeno[2,3-d]pyrimidine-4,6,11(5H)-triones as anticancer agents using in-silico approach.

Bhayye, Sagar S; Brahmachari, Goutam; Nayek, Nayana; Roy, Sujata; Roy, Kunal

Target prioritization of novel substituted 5-aryl-2-oxo-/thioxo-2,3-dihydro-1H-benzo[6,7]chromeno[2,3-d]pyrimidine-4,6,11(5H)-triones as anticancer agents using in-silico approach.

Bhayye, Sagar S; Brahmachari, Goutam; Nayek, Nayana; Roy, Sujata; Roy, Kunal.

Afiliación

Bhayye SS; Department of Chemical Technology, University of Calcutta, Kolkata, India.
Brahmachari G; Laboratory of Natural Products & Organic Synthesis Department of Chemistry, Visva-Bharati (a Central University), Santiniketan, West Bengal, India.
Nayek N; Laboratory of Natural Products & Organic Synthesis Department of Chemistry, Visva-Bharati (a Central University), Santiniketan, West Bengal, India.
Roy S; Department of Biotechnology Rajalakshmi Engineering College, Thandalam, Chennai, India.
Roy K; Drug Theoretics and Cheminformatics Laboratory, Jadavpur University, Kolkata, India.

J Biomol Struct Dyn ; 38(5): 1415-1424, 2020 Mar.

Article en En | MEDLINE | ID: mdl-30968736

Asunto(s)

Antineoplásicos; Neoplasias; Humanos; Simulación del Acoplamiento Molecular; Simulación de Dinámica Molecular; Neoplasias/tratamiento farmacológico; Pirimidinas

Palabras clave

MM-GBSA; Target prioritization; anticancer; in silico; molecular dynamics

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Neoplasias / Antineoplásicos Tipo de estudio: Prognostic_studies Límite: Humans Idioma: En Revista: J Biomol Struct Dyn Año: 2020 Tipo del documento: Article País de afiliación: India Pais de publicación: Reino Unido

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