2 publications
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Published Subscription
Semiempirical Modeling and Docking Studies of Pyrrole-2-Carboxaldehyde Schiff BasesBy Ashwani Kumar, Pardeep Kumar, Parvin Kumar
Abstract: Docking stimulation of antimicrobial compound SB7 against the active site of Mandelate racemase has been accomplished. This compound was engaged in various types of interactions with the binding site residues. Further, molecular modeling of all the target compounds was performed using MOPAC 2016 and various parameters were identified. SB1, SB2 and SB5 were found to be most stable compounds and had highest dipole moment. The compound SB8 came out to …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 3, Issue 3, 2016 · pp. 9–15 Read article →
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Published Subscription
QSAR Studies on Schiff Bases of Pyrrole-2-Carboxaldehyde for Antimicrobial ActivityBy Ashwani Kumar, Pardeep Kumar, Parvin Kumar
Abstract: Pyrrole and Schiff bases are therapeutically significant organic moieties. QSAR (Quantitative structure-activity relationship) studies of thirteen pyrrole-2-carboxyaldehyde Schiff bases have been described for antimicrobial activity against S. epidermidis, E. coli and S. aureus. Described 2D QSAR models are statistically significant models with good fitting ability and robustness. The Q2 value is more than 0.5 for all discussed models which confirms the internal predictive power of the derived QSAR equations. Molecular …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 3, Issue 3, 2016 · pp. 1–8 Read article →