COX-2
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Molecular Docking Analysis of Punica granatum Compounds as Potential Inhibitors for Colorectal Cancer-Associated Molecular Targets
Abstract: Objective: Cancer is one of the most common worldwide disease which threat the life of a person. Colorectal cancer is one of the common cause of death nowadays. As computation approach is now employed for new drug discovery, target protiens like CDK-2, matrix metalloproteinase 2 (MMP-2), cyclin A, poly (ADP- ribose) polymerase (PARP-1) and Cox2 were chosen to perform molecular docking against the derivatives of Punica granatum phtyochemicals and Food …
Published in Research and Reviews : Journal of Computational Biology · Vol. 11, Issue 03, 2022 · pp. 28–42 Read article
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Anti-inflammatory Potentials of Various Oxine Compound Series as Cyclooxygenase-2 (COX-2) and Lipoxygenase (LOX) Inhibitors: Induced-Fit Molecular Docking and Pharmacokinetic Prediction Studies
Abstract: The present investigation is an exploration of multiple oxine series in inhibiting crucial anti-inflammatory targets such as cyclooxygenase-2 (COX-2) (PDB ID: 3LN1) and lipoxygenase (LOX) (PDB ID: 1N8Q) by employing the Glide module of Maestro 9.1 software for induced fit docking (IFD). The study also focuses in exploration towards the essential pharmacokinetic parameters (QPlogPo/w, QPlogS, predicted aqueous solubility, QPPCaco, QPPMDCK, and percentage of human oral absorption). The study highlighted the …
Published in Research and Reviews : Journal of Computational Biology · Vol. 7, Issue 3, 2018 · pp. 16–23 Read article