Drug Design and Medicinal Chemistry Laboratory

Delhi, India

Drug Design and Medicinal Chemistry Laboratory

Delhi, India
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Alam M.M.,Drug Design and Medicinal Chemistry Laboratory | Marella A.,Drug Design and Medicinal Chemistry Laboratory | Akhtar M.,Drug Design and Medicinal Chemistry Laboratory | Husain A.,Drug Design and Medicinal Chemistry Laboratory | And 6 more authors.
Acta Poloniae Pharmaceutica - Drug Research | Year: 2013

A series of pyrazolo[3,4-b]quinolines have been synthesized using one-pot water mediated synthetic route under microwave irradiation involving the condensation of 2-chloroquinoline-3-carbaldehydes with semicarbazide or 2,4-dinitrophenyl hydrazine. The compounds were evaluated for their anti-inflammatory, analgesic, ulcerogenic and lipid peroxidation actions. The pharmacological evaluation showed that the compounds are good at inhibiting edema induced by carrageenan and also showed prominent analgesic activity with lesser GI toxicity as indicated by severity index and LPO values.


Tanwar O.,Drug Design and Medicinal Chemistry Laboratory | Marella A.,Drug Design and Medicinal Chemistry Laboratory | Shrivastava S.,Drug Design and Medicinal Chemistry Laboratory | Mumtaz Alam M.,Drug Design and Medicinal Chemistry Laboratory | Akhtar M.,Drug Design and Medicinal Chemistry Laboratory
Medicinal Chemistry Research | Year: 2013

A successful 3D-QSAR study has been performed for amino-substituted N-acyl and N-aroylpyrazolines as B-Raf kinase inhibitors by means of a common five-point pharmacophore model. In this study, highly predictive 3D-QSAR models have been developed for B-Raf kinase inhibition and pERK inhibition using AADRR-2 and AADRR-6 hypothesis, respectively. The best models showed statistically outstanding values of 0.97, 0.95 and 0.91, 0.87 for r 2 and q 2 for AADRR-2 and AADRR-6 hypothesis, respectively. The validation of the PHASE model was done by dividing the dataset into training and test set. From the QSAR model, it can implicated that electron-withdrawing and hydrophobic groups are not advantageous for both enzymatic and cellular activities. However, H-bond donor characteristic is favorable for cellular inhibition and unfavorable for enzymatic inhibition. Based on the findings of the 3D-QSAR study, novel and promising compounds for B-Raf kinase inhibition can be synthesized. © 2012 Springer Science+Business Media, LLC.

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