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Homology modelling, molecular docking, and molecular dynamics simulations reveal the inhibition of Leishmania donovani dihydrofolate reductase-thymidylate synthase enzyme by Withaferin-A

OBJECTIVE: Present in silico study was carried out to explore the mode of inhibition of Leishmania donovani dihydrofolate reductase-thymidylate synthase (Ld DHFR-TS) enzyme by Withaferin-A, a withanolide isolated from Withania somnifera. Withaferin-A (WA) is known for its profound multifaceted prope...

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Detalles Bibliográficos
Autores principales:	Vadloori, Bharadwaja, Sharath, A. K., Prabhu, N. Prakash, Maurya, Radheshyam
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	BioMed Central 2018
Materias:	Research Note
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5902840/ https://www.ncbi.nlm.nih.gov/pubmed/29661206 http://dx.doi.org/10.1186/s13104-018-3354-1

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