Preliminary phytochemical screening, in vitro antioxidant activity, total polyphenolic and flavonoid content of Garcinia lanceifolia Roxb. and Citrus maxima (Burm.) Merr.

Garcinia lanceifolia and Citrus maxima are two indigenous fruits of East India, particularly Assam; which has been used in various folkloric medicines to treat disorders ranging from diarrhea and jaundice to stomach and heart problems. The main aim of this study was to establish and compare the antioxidant potential of these two plants. The methanolic extracts of the bark of G. lanceifolia and C. maxima were tested for their antioxidant potential using various established in vitro assay procedures. The estimation of the total phenolic and total flavonoid content were also carried out. The phytochemical screening was also done prior to these assays, and it revealed that both the extracts were found to contain tannins and phenolic compounds and flavonoids along with other phytoconstituents. The results reveal that both these plants have a considerable amount of antioxidant activity which can be compared with each other and also the standards.

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.

In-Silico Drug Design: A revolutionary approach to change the concept of current Drug Discovery Process.

Computational methods play a central role in modern drug discovery process. It includes the design and management of small molecule libraries, initial hit identification through virtual screening, optimization of the affinity as well as selectivity of hits and improving the physicochemical properties of the lead compounds. In this review article, computational drug designing approaches have been elucidated and discussed. The key considerations and guidelines for virtual chemical library design and whole drug discovery process. Traditional approach for discovery of a new drug is a costly and time consuming affair besides not being so productive. A number of potential reasons witness choosing the In-silico method of drug design to be a more wise and productive approach. There is a general perception that applied science has not kept pace with the advances of basic science. Therefore, there is a need for the use of alternative tools to get answers on efficacy and safety faster, with more certainty and at lower cost. In-silico drug design can play a significant role in all stages of drug development from the initial lead designing to final stage clinical development.