Screening and Identification of Salicin Compound from Desmodium gangeticum and its In vivo Anticancer Activity and Docking Studies with Cyclooxygenase (COX) Proteins from Mus musculus

Abstract

Pharmacological inhibition of COX can provide relief from inflammation and, as a result, from pain. Non-steroidal antiinflammatory drugs, such as aspirin and ibuprofen, exert their effects through inhibition of COX. Turmeric, ginger, boswellia, hops and some Abstract Cancer continues to be a worldwide killer, despite the enormous amount of research and rapid developments seen during the past decade. It has been suggested that by 2020 more than 15 million new cases of cancer will be diagnosed. Since it is commonly believed that many are preventable, there is urgent need to identify/develop natural medicines as effective chemopreventive agents. The purpose of this current study was to assess the effect of isolated and characterized salicin on cyclooxygenase (COX) proteins by molecular docking studies and by assessments of the effects of drug-ligand interaction. Salicin isolated from Desmodium gangeticum, a medicinal legume, is a COX inhibitor. The present study report the extraction, isolation and identification of salicin and its interaction with COX-1 and COX-2 derivatives, which may be useful for drug-designing for anti-cancer activities. Molecular modeling and docking studies revealed the binding orientations of salicin into the active sites of COX-1 and COX-2 enzymes. Extraction, isolation and characterization of the compound 2-(hydroxymethyl) phenyl hexopyranoside, also known as 'salicin', from the leaves of D. gangeticum first time. Anticancer evaluation of salicin in in vivo mice model.

Salicin, an Extract from White Willow Bark, Inhibits Angiogenesis by Blocking the ROS-ERK Pathways

“…Moreover, recent studies showed that willow bark extract has anticancer activity in various human cancers, including colon and lung cancers via induction of apoptosis or suppression of proliferation (Bonaterra et al ., ; Hostanska et al ., ). According to the recent study, salicin compound from Desmodium gangeticum reduced tumor volume in mice (Srivastava et al ., ). However, the pharmacological effects of salicin on tumor angiogenesis and the related mechanisms remain unexplored.…”

Molecular Dynamic Screening Sesquiterpenoid Pogostemon Herba as Suggested Cyclooxygenase Inhibitor

“…This is due to the amount of the active site interaction of the van Der walls interactions and amino acid residues. The similar research, docking studies ligand salicin compound from D. gangeticum to COX-1 and COX-2 protein receptor, showed high binding affinity COX-2 protein (-5 Kcal/mol) and lesser interaction with COX-1 (-3.79 Kcal/mol), so that salicin as predictive COX-2 inhibitor selective (28). The previously our research, the scoring binding energy calculation (PBSA Model Solvent) alpha-patchouli alcohol compounds (CID442384, CID6432585, CID3080622, CID10955174, and CID56928117) suggested as candidate for a selective COX-1 inhibitor and CID521903 as non-selective COX-1/ COX-2 (4).…”

Molecular Dynamic Screening Sesquiterpenoid Pogostemon Herba as Suggested Cyclooxygenase Inhibitor

“…This is due to the amount of the active site interaction of the van Der walls interactions and amino acid residues. The similar research, docking studies ligand salicin compound from D. gangeticum to COX-1 and COX-2 protein receptor, showed high binding affinity COX-2 protein (-5 Kcal/ mol) and lesser interaction with COX-1 (-3.79 Kcal/ mol), so that salicin as predictive COX-2 inhibitor selective (28). The previously our research, the scoring binding energy calculation (PBSA Model Solvent) alpha-patchouli alcohol compounds (CID442384, CID6432585, CID3080622, CID10955174, and CID56928117) suggested as candidate for a selective COX-1 inhibitor and CID521903 as non-selective COX-1/ COX-2 (4).…”