Understanding the Pyrimethamine Drug Resistance Mechanism via Combined Molecular Dynamics and Dynamic Residue Network Analysis.

Amusengeri, Arnold; Tata, Rolland Bantar; Tastan Bishop, Özlem

Amusengeri, Arnold; Tata, Rolland Bantar; Tastan Bishop, Özlem.

Afiliación

Amusengeri A; Research Unit in Bioinformatics (RUBi), Department of Biochemistry and Microbiology, Rhodes University, Grahamstown 6140, South Africa.
Tata RB; Research Unit in Bioinformatics (RUBi), Department of Biochemistry and Microbiology, Rhodes University, Grahamstown 6140, South Africa.
Tastan Bishop Ö; Research Unit in Bioinformatics (RUBi), Department of Biochemistry and Microbiology, Rhodes University, Grahamstown 6140, South Africa.

Molecules ; 25(4)2020 Feb 18.

Article en En | MEDLINE | ID: mdl-32085470

Asunto(s)

Aminoácidos/química; Resistencia a Medicamentos/efectos de los fármacos; Pirimetamina/química; Pirimetamina/farmacología; Dominio Catalítico; Ligandos; Simulación de Dinámica Molecular; Mutación/genética; Plasmodium falciparum/enzimología; Dominios Proteicos; Tetrahidrofolato Deshidrogenasa/química; Tetrahidrofolato Deshidrogenasa/metabolismo; Termodinámica

Palabras clave

MD-TASK; dihydrofolate reductase; drug resistance; dynamic residue network; malaria; pyrimethamine

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Texto completo: 1 Base de datos: MEDLINE Asunto principal: Pirimetamina / Resistencia a Medicamentos / Aminoácidos Idioma: En Revista: Molecules Asunto de la revista: BIOLOGIA Año: 2020 Tipo del documento: Article

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