International Journal of Scientific and Research Publications, Volume 9, Issue 6, June 2019 824 ISSN 2250-3153, 2019
Background: Schizophrenia is related with physiological condition. It affects brain sections incl... more Background: Schizophrenia is related with physiological condition. It affects 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 fewer 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 counseling 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. Objective: To identify best inhibitors for schizophrenia by using ligand and target based virtual screening with Dopamine Beta Hydroxylase as target and to predict 3D structure of the target protein. Material and Methodology: 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. Auto Dock 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. AutoDock is used to dock ligands against drugs and display results. On the basis of binding energy and affinities, ligands were Chosen. Results: Binding Affinity and Root Mean Square Deviation of Ligands obtained by using PyRx Virtual Screening software Binding energy of ligands with target ranges from-10.1 to-6.7. The binding affinity of ligand ZINC 000095550333 is-9.7. ZINC 000036089409 binding energy is-9.5. Ligand ZINC 000036089465 has binding energy of-9.3. Binding affinity of ligand ZINC 000095550333 is-10.3. Binding affinity of ZINC000004292831 is-10.1. Binding affinity of ligand ZINC 000036089410 is-9.8. Ligand ZINC 000036089465 has binding affinity of-9.3. On the basis of interactions and best ligand binding energy with target Ligand 4zl_ZINC000004292831 is consider as best. Virtual screening of ligands against target by PyRx ligands are placed in the lowest to the highest order on the bases of their Interactions and Binding Energy binding energy ranges from-10.3 to-6.7 Ligand ZINC000095550333 is shows best interaction and ligand energy with target having Binding Energy of-10.3. Conclusion: As for computational analysis, it emphasizes diverse ligands by using different servers which can act as best target against schizophrenia. Further nature of ligand will be explored by in-vitro and vivo analysis. Interaction of ligands with lead molecules suggests that auxiliary analysis of these drugs will give a way towards the treatment of schizophrenia.
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Background: In nature, the plants are exposed to
various biotic and abiotic stress factors. In abiotic
factor soil salinity, water deficit, heavy metal and
extreme temperature are included are the major
factors which directly inhibit growth and
development of crop plants (Ali, M, H, & Athar,
2007). In these abiotic stresses, the drought/water
deficit is major abiotic stress that limits biological
yield (Ashraf & Foolad , 2007).Among abiotic
stresses drought is a major detrimental factor all
over the world.
Background: In nature, the plants are exposed to
various biotic and abiotic stress factors. In abiotic
factor soil salinity, water deficit, heavy metal and
extreme temperature are included are the major
factors which directly inhibit growth and
development of crop plants (Ali, M, H, & Athar,
2007). In these abiotic stresses, the drought/water
deficit is major abiotic stress that limits biological
yield (Ashraf & Foolad , 2007).Among abiotic
stresses drought is a major detrimental factor all
over the world.