Please use this identifier to cite or link to this item: http://nopr.niscair.res.in/handle/123456789/55773
Title: QSAR of 1,3,5-triazine compounds towards inhibition of toxoplasmosis utilizing computed molecular descriptors
Authors: Tanya
Nandi, Sisir
Keywords: Toxoplasmosis;Toxoplasma gondii;1,3,5-triazine compounds;Calculated theoretical molecular descriptors;QSAR modeling
Issue Date: Dec-2020
Publisher: NISCAIR-CSIR, India
Abstract: Growing attention has been focussed towards a considerable amount of experimental and theoretical study of anti toxoplasmosis compounds having inhibitory activities against toxoplasmosis. Toxoplasmosis is a dangerous disease in both urban as well as rural areas. It is caused by Toxoplasma gondii. The life cycle involves feline species such as both domestic and wild cats, and other felids such as lions, etc. There are various targets for developing anti toxoplasmosis agents. One of the most promising targets is dihydrofolate reductase (DHFR). 1,3,5-Triazine compounds have been reported to inhibit the T. gondii. But there is hardly any formulation of quantitative structure-activity relationship (QSAR) involving 1,3,5-triazine inhibitors to date. Therefore, it is our target in the present study to develop QSAR models based on the computed theoretical molecular descriptors to scale the essential features responsible for the DHFR inhibition. These screened features of the selected compounds will help to design the potent congeneric series.
Page(s): 1881-1886
URI: http://nopr.niscair.res.in/handle/123456789/55773
ISSN: 0975-0983(Online); 0376-4699(Print)
Appears in Collections:IJC-B Vol.59B(12) December 2020]

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