Molecular docking study of 3,6 bis(3’substituted propoxy) and 3,6 bis (5’substituted pentyloxy) xanthone derivatives as PGHS- 2 inhibitors.

The primary effect of the NSAIDs is to inhibit cyclooxygenase (COX or prostaglandin synthase), thereby impairing the ultimate transformation of arachidonic acid to prostaglandins, prostacyclin, and thromboxanes. Two related isoforms of the COX enzyme have been described, COX-1 and COX-2. Identification of this cyclooxygenase-2 (COX-2) isoform resulted in the development of selective COX-2 inhibitors, with the hope of producing a safer analgesic and anti-inflammatory agent. The principal benefit with the selective COX-2 inhibitors is the production of comparable analgesia and antiinflammatory effects to the nonselective NSAIDs, but with fewer symptomatic gastric and duodenal ulcers and a decrease in gastrointestinal symptoms. In the present work, twelve novel series of xanthone derivatives (A1-A6 and B1-B6) were allowed to dock against PGHS-2(prostaglandin endoperoxide synthase-2) protein (PDB ID: 3LN1) to evaluate their comparative efficacy in terms of docking performance. The results are discussed on the basis of binding energy value.

Comparative mode of action of some terpene compounds against octopamine receptor and acetyl cholinesterase of mosquito and human system by the help of homology modeling and Docking studies.

Mosquitoes are vectors of many diseases like malaria, encephalitis, dengue, filaria, yellow fever etc. and thus possess severe threat to public health. Essential oils of some aromatic plants and many pure terpene compounds have been reported effective against different strains of mosquitoes by many authors. In the present investigation, five reported terpene compounds namely eugenol, geraniol, coumarin, eucalyptol and carvacrol were allowed to dock against octopamine receptor and acetyl cholinesterase protein models of Aedes aegypti and Homo sapiens to evaluate their comparative efficacy in terms of docking performance. All the compounds were found to dock with both the protein models of the two animal systems while some of them were found to better perform against the protein models of A.aegypti than the protein models of H.sapiens which can further be explored in mosquito control programme as a comparatively safe compound(s). The results are discussed on the basis of energy value. 3D structures of proteins were modeled using Modeller9v8. The structures assessment were established using the Procheck, WhatCheck and WhatIF server of Swiss Model Workspace. Ligands were prepared using the Commercial Software Exome HorizonTM.

Paper currencies, a potential carrier of pathogenic microorganisms.

Microbial analysis of 500 Indian currencies collected from people of different categories across the state Assam (India) has shown the presence of various pathogenic microorganisms viz, E. coli, Pseudomonas spp., Klebsiella spp., Streptococcus spp. and Staphylococcus sp. which are known to be responsible for watery diarrhea, mouth skin diseases, pneumonia, respiratory track diseases, gastro intestinal diseases etc. This may be due to the climatic conditions of most of the third world Asian countries which favors the optimum growth conditions for the microorganisms and a huge number of carriers handling them due to larger population in these regions.