From hit discovery through lead optimization and beyond, computational methods have become an essential part of many drugs development processes. There are typically several steps in the docking process, and each one provides a new level of complexity. Docking methods are used to place small molecules in the active region of the enzyme. In addition to these methods, scoring functions are used to estimate a compound's biological activity by looking at how it interacts with prospective targets. Molecular docking is considered to be the most widely utilized computational phenomenon in the field of computer-aided drug design (CADD). It is being utilized at the academic level as well as in pharmaceutical companies for the lead discovery process. Molecular docking is mainly associated with two terms: ligand and protein. Protein is the target site where ligand may bind to give specific activity. Molecular docking provides information on the ability of the ligand to bind with protein which is known as binding affinity. Applications of molecular docking in drug development have evolved significantly since it was first created to aid in the study of molecular recognition processes between small and large compounds. This review emphasizes the basic features of molecular docking along with the types, approaches and applications.
Introduction: Polycythemia is an uncommon type of cancer in which bone marrow produce too many red blood cells as well as due to overproduction of white blood cells and platelets. It is caused by neoplastic proliferation and maturation of erythroid, Megakaryocytic and Granulocytic elements to produce Panmyelosis. Looking at the dire to find better & safer alternate, we decided to work on Brinzolamide. Methodology: In vivo anti-cancer potential of brinzolamide was evaluated using Cobalt containing Milk induced polycythemia rubra vera (PRV) on Swiss albino rat. Animals were subjected for 30 days treatment of Co-Milk along with respective drug administration. In this model, Methotrexate was taken as standard because of structural & mechanism similarity with brinzolamide. Result: In Cobalt containing milk induced PRV, there was significant reduction in all the blood cell counts, increased blood flow rate & shown beneficial effects on other relevant parameters as well as shown protective action on spleen. Conclusion: From the study conducted, we can conclude that Brinzolamide can serve as one of the alternate for blood cancer treatment specifically in Polycythemia rubra vera.
The pharmaceutical industry is fast pace growing field in which companies are focusing on research and development to identify new therapies and novel compounds which can provide better alternatives and which acts on new targets. For that matter, they are in need of rapid compound testing and screening. High throughput screening (HTS) is a important tool in drug discovery process which enables to screen more than millions of compound in a short period of time. It comprises of various tools which includes microtiter well plates, robotic arms and detectors. The basic application of HTS is to find ‘hits’, a compound from compound library which shows the affinity with the target molecule.
Immune system is the main defense mechanism of our body. Strengthening of the immune system is nowadays the major research target of the researchers, as there is a dire need of new safe, economical immune stimulant which is readily available to the common people. Currently, the plant Prickly Pear is reported to possess Immuno-Stimulant activity due to its phytochemicals. The aim of the research was toevaluate immuno-stimulant action of Prickly pear fruit juice in vitro. Prickly pear fruits are collected from local market of Tramba (Gujarat-India). The seed free juice of the fruits prepared and immunostimulant action of prickly pear is evaluated using In-vitro Phagocytosis test. Confirmation of immuno-stimulant action of prickly pear is done using nitro blue tetrazolium dye test. Anti-oxidant and free radical scavenging potential of Prickly pear perusing DPPH and H 2 O 2 test. And Statistical analysis is performed.The results of Phagocytic activity data indicate were significantly different when compared with control and level of significance which was P>0.001. As per DPPH model, indicate that result data were significantly different when compared with control and level of significance which was P>0.001. H 2 O 2 model indicate that data were significantly different when compared with control and level of significance which was P>0.001. Thus, Immunostimulant and free radical scavenging activity were confirmed. According to the obtained results, we can conclude that prickly pear possesses strong immune-stimulant potential as well as better free radical scavenging potential.
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