@article {43307,
	title = {Determination of optimum values of descriptors to set filters for synthetic tri-pyrrole derivatives (prodiginines) against multi drug resistant strain of plasmodium falciparum},
	journal = {Current Research in Drug Discovery},
	volume = {1},
	year = {2014},
	month = {JAN},
	pages = {51-59},
	abstract = {<p>Abstract: In the present study, we have carried out extensive non-linear Quantitative-Structure Activity Relationship (QSAR) analysis to correlate in vitro anti-malarial activity against multi drug resistant strain of Plasmodium falciparum. Forty-three synthetic prodiginines with different structural features were used for their potential antimalarial activity. Linear, bilinear, biexponential and parabolic equations were developed. These equations were compared to determine the optimum values of descriptors for very useful and easily interpretable descriptors. The optimum values of these descriptors could be helpful in finding and optimizing a good lead compound. Obtained correlations reveal that various factors like lipophilicity, molecular weight and number of bonds have non-linear relation with the anti-malarial activity. Keywords: Prodiginines, Anti-Malarial Activity, Optimum/Desirability Values, Hybrid Inverse-QSAR</p>},
	doi = {10.3844/crddsp.2014.51.59},
	author = {Masand, Vijay H. and Mahajan, Devidas T. and Pourbasheer, Eslam and Hadda, Taibi Ben and Chauhan, Harsh and Gajbhiye, Jayant M. and Alafeefy, A. M.}
}
@article { ISI:000357468200016,
	title = {Discovery of rimonabant and its potential analogues as anti-TB drug candidates},
	journal = {Medicinal Chemistry Research},
	volume = {24},
	number = {7},
	year = {2015},
	month = {JUL},
	pages = {2960-2971},
	publisher = {SPRINGER BIRKHAUSER},
	address = {233 SPRING STREET, 6TH FLOOR, NEW YORK, NY 10013 USA},
	abstract = {<p>Rimonabant and its analogues have been synthesized in moderate to good yields using a simple synthetic route. All the newly synthesized compounds were subjected to in vitro screening against M. tuberculosis and M. smegmatis. The most potent analogue JMG-14 exhibits MIC value of 3.13 compared to 3.25 and 50 A mu g/ml for ethambutol and pyrazinamide, respectively. The molecular docking reveals that pyrazole ring, number and position of halogen atoms play a crucial role in deciding interactions with MTCYP-121. These findings open up a new avenue in the search of potent anti-TB drugs with rimonabant and its novel analogue JMG-14 as lead molecules.</p>},
	keywords = {Diaryl pyrazoles, H37Rv, MTCYP-121, Mycobacterium tuberculosis, Rimonabant, tuberculosis},
	issn = {1054-2523},
	doi = {10.1007/s00044-015-1346-4},
	author = {Gajbhiye, J. M. and More, Namita A. and Patil, Manoj D. and Ummanni, R. and Kotapalli, S. S. and Yogeeswari, P. and Sriram, D. and Masand, Vijay H.}
}
