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Item type:Publication, 3D-QSAR studies of 4-aminoquinoline-pyrimidine hybrids as antimalarial inhibitors targeting wild-type P. falciparum dihydrofolate reductase(2025-11-01) ;Jitonnom, Jitrayut ;Jitonnom, Wijitra ;Tue-Ngeun, Panthip ;Saparpakorn, PatchreenartHannongbua, SupaThree-dimensional quantitative structure–activity relationship (3D-QSAR) was determined on a set of 4-aminoquinoline-pyrimidine hybrids to elucidate the 3D structural features affecting the antimalaria activity against wild-type Plasmodium falciparum dihydrofolate reductase (PfDHFR). Several combined analyses of comparative molecular field (CoMFA), comparative molecular similarity indices (CoMSIA) and noncovalent interaction (NCI) were carried out. The 3D descriptors capturing steric, electrostatic and hydrophobic features of molecules and their correlation with experimental activity were established (CoMFA; q<sup>2</sup>= 0.506, r<sup>2</sup>= 0.875, SEE = 0.227 and CoMSIA; q<sup>2</sup>= 0.614, r<sup>2</sup>= 0.871, SEE = 0.230). Key structural features are drawn from the models: The R<sup>1</sup>substituent prefers small, less steric groups, while the R<sup>2</sup>substituent favors larger, more sterically bulky hydrophobic groups. Introducing hydrogen bond acceptor and donor groups at R<sup>2</sup>and the N-substituted linkage enhances activity. The docking and NCI results revealed extensive hydrophobic interactions and its stabilization to the binding process of PfDHFR. - Some of the metrics are blocked by yourconsent settings
Item type:Publication, Malaria transmission model of juvenile and adult humans(2011-12-01) ;Pongsumpun, PuntaniMumtong, PreeyapornA major public health problem in Thai population is due to Malaria. This disease is caused by the multiplication of protozoa parasite of the genus Plasmodium; Plasmodium falciparum, Plasmodium vivax, Plasmodium malariae and Plasmodium ovale. Malaria is found along the border with Burma, Cambodia and Malaysia. There are the different transmission rates of this disease between Thai juvenile and adult humans. In this study, the transmission of Malaria is considered by using Mathematical model. The analysis of this model is given by method of standard dynamical modeling. The local stability conditions are shown to point the way for decreasing the outbreak of the disease. © 2011 IEEE. - Some of the metrics are blocked by yourconsent settings
Item type:Publication, Mathematical model for the transmission of two plasmodium malaria(2011-03-01)Pongsumpun, P.Malaria is transmitted to the human by biting of infected Anopheles mosquitoes. This disease is a serious, acute and chronic relapsing infection to humans. Fever, nausea, vomiting, back pain, increased sweating anemia and splenomegaly (enlargement of the spleen) are the symptoms of the patients who infected with this disease. It is caused by the multiplication of protozoa parasite of the genus Plasmodium. Plasmodium falciparum, Plasmodium vivax, Plasmodium malariae and Plasmodium ovale are the four types of Plasmodium malaria. A mathematical model for the transmission of Plasmodium Malaria is developed in which the human and vector population are divided into two classes, the susceptible and the infectious classes. In this paper, we formulate the dynamical model of Plasmodium falciparum and Plasmodium vivax malaria. The standard dynamical analysis is used for analyzing the behavior for the transmission of this disease. The Threshold condition is found and numerical results are shown to confirm the analytical results.
