DFT, ADME studies and evaluation of the binding with HSA and MAO-B inhibitory potential of protoberberine alkaloids from Guatteria friesiana: theoretical insights of promising candidates for the treatment of Parkinson's disease.

Tananta, Victor L; Costa, Emmanoel V; Mary, Y Sheena; Mary, Y Shyma; S Al-Otaibi, Jamelah; Costa, Renyer A

Tananta, Victor L; Costa, Emmanoel V; Mary, Y Sheena; Mary, Y Shyma; S Al-Otaibi, Jamelah; Costa, Renyer A.

Afiliación

Tananta VL; Department of Chemistry, Federal University of Amazonas (DQ-UFAM), Manaus, AM, 69080-900, Brazil.
Costa EV; Department of Chemistry, Federal University of Amazonas (DQ-UFAM), Manaus, AM, 69080-900, Brazil.
Mary YS; Thushara, Neethinagar-64, Kollam, Kerala, India.
Mary YS; Thushara, Neethinagar-64, Kollam, Kerala, India.
S Al-Otaibi J; Department of Chemistry, College of Science, Princess Nourah Bint Abdulrahman University, P.O. Box 8442811671, Riyadh, Saudi Arabia.
Costa RA; Department of Chemistry, Federal University of Amazonas (DQ-UFAM), Manaus, AM, 69080-900, Brazil. renyer.costa@gmail.com.

J Mol Model ; 29(11): 353, 2023 Nov 01.

Article en En | MEDLINE | ID: mdl-37907772

Asunto(s)

Berberina; Guatteria; Enfermedad de Parkinson; Humanos; Berberina/metabolismo; Berberina/farmacología; Dopamina; Simulación del Acoplamiento Molecular; Simulación de Dinámica Molecular; Monoaminooxidasa/metabolismo; Inhibidores de la Monoaminooxidasa/farmacología; Enfermedad de Parkinson/tratamiento farmacológico

Palabras clave

DFT; MAO-B; Molecular docking; Molecular dynamics; Protoberberine

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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Enfermedad de Parkinson / Berberina / Guatteria Límite: Humans Idioma: En Revista: J Mol Model Asunto de la revista: BIOLOGIA MOLECULAR Año: 2023 Tipo del documento: Article País de afiliación: Brasil

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