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The Virtual University, Pakistan’s first University based completely on modern Information and Communication Technologies, was established by the Government as a public sector, not-for-profit institution with a clear mission: to provide extremely affordable world class education to aspiring students all over the country.

Using free-to-air satellite television broadcasts and the Internet, the Virtual University allows students to follow its rigorous programs regardless of their physical locations. It thus aims at alleviating the lack of capacity in the existing universities while simultaneously tackling the acute shortage of qualified professors in the country. By identifying the top Professors of the country, regardless of their institutional affiliations, and requesting them to develop and deliver hand-crafted courses, the Virtual University aims at providing the very best courses to not only its own students but also to students of all other universities in the country.

IDENTIFICATION OF POTENT INHIBITORS AGAINST POTENTIAL DRUG TARGET FOR SCHIZOPHRENIA THROUGH VIRTUAL SCREENING APPROACH

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Author: HIFZA SALEEM


Citable URI : https://vspace.vu.edu.pk/detail.aspx?id=239

Publisher : Virtual University

Date Issued: 8/20/2019 12:00:00 AM


Abstract

Schizophrenia is related with physiological condition. It effects brain sections including the prefrontal cortex, the basal ganglia as well as limbic system. There are certain neurotransmitters present in the brain such as dopamine. When level of dopamine is disturbed it causes schizophrenia. Environmental factors like stress, depression and anxiety also contribute to schizophrenia. Several drugs including first and second generation are available to provide treatment against schizophrenia. Second generation drugs have better results and less side effects than first generation. Clozapine is second generation drug which was recommended as best drug for schizophrenia. It rebalances dopamine and helps to treat the patients of schizophrenia as well as diminishing of suicidal thoughts. Therapies and counselling also help to overcome this disorder. Dopamine Beta Hydroxylase catalyzes the synthesis of norepinephrine. Dopamine beta hydroxylase activity was suggested as a biological marker for schizophrenia alongside other psychiatric disorders. Here our goal is to design best inhibitor against schizophrenia with low cost and less side effects because the recommended drugs for schizophrenia are expensive and have many side effects. For this study, different databases were used. Structure and potential lead molecules were identified by the help of structure as well as ligand based virtual screening. AutoDock is used for virtual screening based on target. For ligand based virtual screening ZINC 15 database was used. Compounds were selected and further screened by using PyRx software. The ligands with less binding affinity were selected for analysis. Structure and interactions are viewed in DS visualizer tool and protein ligand explorer. Virtual screening is used for computational screening of huge library of chemicals for the compounds which supplement targets of known structure by testing them experimentally. Ligands were screened by using PyRx server and ZINC 15 server. Auto dock is used to dock ligands against drugs and display results. On the bases of binding energy and affinities ligands were Chosen. Top 10 potent inhibitors displayed high docking scores as well binding affinity and energy. Drugs can be further analyzed by use of vitro and in vivo analysis


URI : https://vspace.vu.edu.pk/details.aspx?id=239

Citation: Saleem, H(2018). IDENTIFICATION OF POTENT INHIBITORS AGAINST POTENTIAL DRUG TARGET FOR SCHIZOPHRENIA THROUGH VIRTUAL SCREENING APPROACH. Virtual University of Pakistan.(Lahore, Pakistan).

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