Listar por tema "QSAR"
Mostrando ítems 1-3 de 3
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Modelling the anti-methicillin-resistant staphylococcus aureus (MRSA) activity of cannabinoids: a QSAR and Docking study
(Corporación Universidad de la Costa, 2020-08-11)Twenty-four cannabinoids active against MRSA SA1199B and XU212 were optimized at WB97XD/6-31G(d,p), and several molecular descriptors were obtained. Using a multiple linear regression method, several mathematical models ... -
Molecular Modeling Studies Of Bromopyrrole Alkaloids As Potential Antimalarial Compounds: A DFT Approach
(Medicinal Chemistry Research, 2018-03-01)The World Health Organization has reported about 214 million new cases of malaria with about 438,000 deaths worldwide in 2015. An example of antimalarial compounds isolated from plants, and is currently in use, may be ... -
QSAR and molecular docking modelling of anti-leishmanial activities of organic selenium and tellurium compounds
(Corporación Universidad de la Costa, 2020-11-26)Leishmaniasis affects mainly rural areas and the poorest people in the world. A computational study of the antileishmanial activity of organic selenium and tellurium compounds was performed. The 3D structures of the compounds ...