Modelling piperide-based derivatives as potential inhibitors of Plasmodium falciparum lactate dehydrogenase: QSAR and docking studies

Modelling piperide-based derivatives as potential inhibitors of Plasmodium falciparum lactate dehydrogenase: QSAR and docking studies

Plasmodium falciparum lactate dehydrogenase (pLDH), a protein receptor with Protein Data Bank (PDB) code 1CET, was used as a molecular target for docking studies with 11 sets of piperidine-based derivatives. Modelling and geometry optimisation using density functional theory (DFT) were performed on...

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Bibliographic Details
Main Authors: Habeeb Abiodun Afolabi, Ajani Busari, Abdul Azeez T. Alabi, Aisha T. Maradesa, Solomon Adeleke, Abdulkarim Sikiru Bayo, Musa Olalekan Imran, Saduwa Francis, Nurudeen A. Adegoke
Format: Article
Language:English
Published: Elsevier 2024-09-01
Series:Scientific African
Subjects:
Docking
Plasmodium falciparum
Kernel
Spline, inhibitory concentration
Regression model
Online Access:http://www.sciencedirect.com/science/article/pii/S2468227624002606

Internet

http://www.sciencedirect.com/science/article/pii/S2468227624002606

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