Carbohydrate Metabolism

Hill, Donald L.

doi:10.1016/b978-0-12-348350-8.50007-8

Cited by 1 publication

(1 citation statement)

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“…While there are some experimental techniques for determining whether a chemical has antimalarial activity (such as in vivo and in vitro assay tests), none of them are particularly helpful or cheap, and they may result in harmful byproducts from the current experimental procedures. All of these techniques have been tested using biological materials and receptors that are preferable to humans, rats, and mice [2]. Using quantitative structure-activity relationship (QSAR) approaches is an effective way to collect a full set of data without having to conduct costly laboratory tests.…”

Section: Introductionmentioning

confidence: 99%

Identification of a 2-aminothiazole framework using classical QSAR model targeting chloroquine-sensitive Plasmodium falciparum

Karuppaiyan,

Gunavel,

Solai

et al. 2024

Int. J. Res. Pharm. Sci.

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Chloroquine-sensitive Plasmodium falciparum is the most deadly form of human malaria. It is associated with a number of mutations in P. falciparum. Chloroquine-resistant transporter is a protein that serves as a transporter in the parasite's digesting vacuole membrane. In order to combat chloroquine-sensitive P. falciparum strains (NF54), this study employs QSAR modelling to examine possible structural alterations of 2-amino-thiazole derivatives. The traditional QSAR model was built using the PaDEL descriptor via QSARINS software. The model was found to have an internal cross-validation value of Q2loo = 0.7890 and an external validation parameter of RMSE ext = 0.6938. The predicted pIC50 values from the QSAR techniques for the case study chemicals were compared and found to be well fitted to the model and well predicted for the external set of compounds. The outcome demonstrates the value of using the suggested method in the creation of new medication candidates could fill the critical gap in scientific knowledge and open up novel possibilities for pharmaceutical development.

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Section: Introductionmentioning

confidence: 99%