1184 Essay

618 words - 3 pages

everal years of persistent efforts, malaria is still one of the most infectious diseases in the world. A major contributor to malarial morbidity and mortality is almost certainly the increasing resistance of malaria parasites to available drugs. Resistance is primarily seen in Plasmodium falciparum. In view of that we have attempted to design novel antimalarial agents. Essential pharmacophoric feature were identified using ligand Scout. The multi parameter 3D QSAR equations have also generated by valstat, described relationship of antimalarial activity and physiochemical parameters, result can be used for structure optimization. In addition docking study was also performed using Molegro 5.0, to establish theoretical drug receptor interaction between ligands and glutathione transferase enzyme of Plasmodium falciparum. Pharmacophoric feature were identified in series. Among several 3D QSAR equations, two equations 1, 2 with good statistical values were selected. Optimized model 2 exhibited a significant relationship between log P, partition coefficient, dipole moment-Y and antimalarial activity with good correlation coefficient (0.86), internal predictivity (0.68) and F value (33.23). In docking it was found that all the ligands formed a hydrogen bond interaction with Tyr 108 of glutathione transferase. The unbound Tyr 108 is essential for the survival of Plasmodium falciparum. The results are promising and can be used to design novel anti-malarial agents.

Keywords: Resistance, Plasmodium falciparum, glutathione transferase, optimization
Malaria word originated from word mala and aria which means the bad air. Malaria is most widespread and dangerous disease worldwide. It is a controllable disease but it requires the efficient treatment which is safer in term of less side effects and specific potency. It is endemic and wide spread by the different species, but larger part suffering was caused by P. falciparum and P. vivax, while P. ovale, and P. malariae cause a generally lesser form of malaria that is rarely fatal. In 2012 world malaria report, highlighted the...

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