Density Functional Theory Calculations and Molecular Docking Analyses of Flavonoids for Their Possible Application against the Acetylcholinesterase and Triose-Phosphate Isomerase Proteins of <i>Rhipicephalus microplus</i>.

Malak, Nosheen; Alotaibi, Bader S; Khan, Afshan; Khan, Adil; Ullah, Shakir; Nasreen, Nasreen; Niaz, Sadaf; Chen, Chien-Chin

Density Functional Theory Calculations and Molecular Docking Analyses of Flavonoids for Their Possible Application against the Acetylcholinesterase and Triose-Phosphate Isomerase Proteins of Rhipicephalus microplus.

Malak, Nosheen; Alotaibi, Bader S; Khan, Afshan; Khan, Adil; Ullah, Shakir; Nasreen, Nasreen; Niaz, Sadaf; Chen, Chien-Chin.

Afiliación

Malak N; Department of Zoology, Abdul Wali Khan University Mardan, Mardan 23200, Pakistan.
Alotaibi BS; Department of Laboratories Sciences, College of Applied Medical Sciences, Shaqra University, Alquwayiyah 15273, Saudi Arabia.
Khan A; Department of Zoology, Abdul Wali Khan University Mardan, Mardan 23200, Pakistan.
Khan A; Department of Botany and Zoology, Bacha Khan University, Charsadda 24420, Pakistan.
Ullah S; Department of Zoology, Abdul Wali Khan University Mardan, Mardan 23200, Pakistan.
Nasreen N; Department of Zoology, Abdul Wali Khan University Mardan, Mardan 23200, Pakistan.
Niaz S; Department of Zoology, Abdul Wali Khan University Mardan, Mardan 23200, Pakistan.
Chen CC; Department of Biotechnology and Bioindustry Sciences, College of Bioscience and Biotechnology, National Cheng Kung University, Tainan 701, Taiwan.

Molecules ; 28(8)2023 Apr 20.

Article en En | MEDLINE | ID: mdl-37110838

Asunto(s)

Acaricidas; Enfermedades de los Bovinos; Rhipicephalus; Enfermedades por Picaduras de Garrapatas; Animales; Humanos; Bovinos; Acetilcolinesterasa/farmacología; Simulación del Acoplamiento Molecular; Triosa-Fosfato Isomerasa; Acaricidas/farmacología; Teoría Funcional de la Densidad

Palabras clave

Rhipicephalus microplus acetylcholinesterase 1 (RmAChE1); Rhipicephalus microplus triose-phosphate isomerase (RmTIM); density functional theory; flavonoids; molecular docking; tick; tick-borne disease

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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Enfermedades de los Bovinos / Enfermedades por Picaduras de Garrapatas / Rhipicephalus / Acaricidas Límite: Animals / Humans Idioma: En Revista: Molecules Asunto de la revista: BIOLOGIA Año: 2023 Tipo del documento: Article País de afiliación: Pakistán

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