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Abstract
Quantitative structure activity relationship (QSAR) studies were performed on a series of 7-chloro-4-aminoquinoline derivatives with aim to evaluate the influence of steric (MR), hydrophobic (log P) and electronic (DM) factors on their antimalarial activity. A multiple linear regression analysis (MLR) was carried out to obtain QSAR model(s) in order to make quantitative assessment of relationships between above molecular descriptors and antimalarial activity of 4-aminoquinoline derivatives. QSAR models were found statistically significant which, therefore, may be useful for the prediction of activity of some newer structural analogues based upon the structural scaffold of 7-chloro-4-aminoquinoline for the rational design and development of potent antimalarial leads.
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References
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References
W.H.O. World Malaria Report, WHO: Geneva, Switzerland (2014).
S. Roy, D. Chetia, M. Rudrapal and A. Prakash, Med. Chem., 9, 379 (2013); http://dx.doi.org/10.2174/1573406411309030008.
M. Rudrapal, D. Chetia and A. Prakash, Med. Chem. Res., 22, 3703 (2013); http://dx.doi.org/10.1007/s00044-012-0371-9.
D. Sharma, D. Chetia and M. Rudrapal, Asian J. Chem., 28, 782 (2016); http://dx.doi.org/10.14233/ajchem.2016.19478.
C.D. Selassie, in ed.: D.J. Abraham, Drug Discovery, In: Burger’s Medi-cinal Chemistry and Drug Discovery, Wiley Interscience, New York, edn 6, pp. 2-3 (2003) .
S.O. Podunavac-Kuzmanovic, D.D. Cvetkovic and D.J. Barna, Int. J. Mol. Sci., 10, 1670 (2009); http://dx.doi.org/10.3390/ijms10041670.