Induced-Fit Molecular Docking and Pharmacokinetic Prediction Studies of Two Phenanthrene Compound Series as Potential Cyclooxygenase-2 (COX-2) and Lipoxygenase (LOX) Inhibitors: Edema Reducing Prospects of the Emerging Candidates
Tomy Muringayil Joseph, Debarshi Kar Mahapatra · 2019
The existing explorative study involved determining the anti-inflammatory potential of two inter-linked series of phenanthrene compounds against vital targets such as cyclooxygenase-2 (COX-2) (PDB ID: 3LN1) and lipoxygenase (LOX) (PDB ID: 1N8Q) by induced fit docking (IFD) technique, employing the Glide module of Maestro 9.1 software. In addition to it, the comprehensive pharmacokinetic parameters (all 33 critical aspects) were determined using the QikProp module. The study opened avenues for developing the unexplored class of phenanthrene in developing future molecules of high pharmacodynamics attributes. Keywords: Phenanthrene, docking, anti-inflammatory, COX-2, LOX, pharmacokinetics Cite this Article Tomy Muringayil Joseph, Debarshi Kar Mahapatra. Induced-Fit Molecular Docking and Pharmacokinetic Prediction Studies of Two Phenanthrene Compound Series as Potential Cyclooxygenase-2 (COX-2) and Lipoxygenase (LOX) Inhibitors: Edema Reducing Prospects of the Emerging Candidates. Research & Reviews: A Journal of Bioinformatics . 2018; 5(3): 1–8p.