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Mutant protein hSKCa3 responsible for Schizophrenia is taken from NCBI's Entrez database; its 3D structure is determined by homology modelling. The conotoxin protein is taken from NCBI's Entrez database & its 3D structure is established. The structure of Withanolide is determined and docked with conotoxin protein; this combination is docked with hSKCa3 protein, hence establishing a remedy.
Recently, computers are increasingly being used in drug design, patient management, disease diagnosis, and estimating prognosis. While it showed tremendous advantages, many drugs cannot exert their maximal efficacy in the process of treatment, even generate severe side-effect. This may be attributed to the differences between the pharmacokinetic(PK)-pharmacodynamic(PD) properties of the drug in the...
HCV (Hepatitis C virus) that the NS3 protease and NS5B RNA-dependent RNA polymerase (RbRp) which the enzymes for virtual replication. HCV plays an important role that to cause the chronic and liver diseases. The computer aided drug design (CADD) that is the new method to design the new molecules as like the drugs from the potent compounds. We took the program of Discovery Studio 2.0 and the scoring...
The potyvirus coat protein (CP) is involved in aphid transmission, cell-to-cell movement and virus assembly, not only by binding to viral RNA, but also by self-interaction or interactions with other factors. Peptide fragments of genome coatprotein can be used to select nonamers for use in rational vaccine design and to increase the understanding of roles of the immune system in infectious diseases...
This investigation presents novel computer graphics and computational approaches for solving the challenges of computer-aided drug design (CADD). From NCBI' 97 reports, the most significant challenge is the docking procedure in CADD, and employs Lyapunov's stability theorem to decrease the number of binding sites for enhancing the docking performance. These novel techniques are significantly, based...
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