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|Title:||QSAR study of benzimidazole-hydrazine carbothioamide derivatives as potent anti-malarial agents against Plasmodium falciparum|
Chhabaria, Mahesh T
|Keywords:||QSAR;Antimalarial activity;Plasmodium falciparum;Benzimidazole-thiosemicarbazone derivatives;Genetic function approximation|
|Abstract:||A data set of benzimidazole-hydrazine carbothioamides, in particular (E)-2-(1-(5-substituted-1H-benzo[d]imidazol-2-yl)ethylidene)-N-(sunstituted) hydrazine carbothioamide derivatives with anti-malarial activity against Plasmodium falciparum has been employed in investigating the QSAR (Quantitative Structure Activity Relationship). The descriptors are identified by using GFA (Genetic Function Approximation) technique. The anti-malarial activity has been influenced by them. Quantum mechanical, topological and geometric descriptors are identified as the most impelling molecular descriptors. Generated model is found to be good based on correlation coefficient, LOF, r2m and r2cv values. The results of GFA have shown that dipole moment, length of molecule in Y-dimension, relative positive charge surface area and electrotopological count for CH3 play an important role in growth of Plasmodium falciparum. The QSAR models so constructed provide fruitful insights for the future development of anti-malarial agents.|
|Appears in Collections:||IJC-B Vol.55B(04) [April 2016]|
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