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Structure Modeling and Molecular Docking Studies of Schizophrenia Candidate Genes, Synapsins 2 (SYN2) and Trace Amino Acid Receptor (TAAR6)

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Bioinformatics Research and Applications (ISBRA 2017)

Part of the book series: Lecture Notes in Computer Science ((LNBI,volume 10330))

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Abstract

Schizophrenia (SZ) is a severe manifesting psychiatric neural disorder with abnormal behavior, disorganized speech and figment of the imagination. The Synapsin II (SYN2) and Trace Amine Associated Receptor (TAAR6) genes has direct association with SZ. In the current study, the 3-dimensional structure of SYN2 and TAAR6 protein is proposed and the protein-protein docking analysis was applied to explore the binding interactions of the candidate proteins. The comparative modeling was performed with the suitable template (Q86VA8 for SYN2 and H0YF79 for TAAR6) which represents the query coverage (71%, 87%), sequence identity (67%, 34%) and the e-value (0.0, 1e-43) respectively. The structure quality of the predicted model of SYN2 and TAAR6 presents 90.7%, and 96.5% residues in the favored region of Ramachandran plot analysis respectively, suggests the good quality models construction. The phylogenetic analysis suggests that the TAAR6 sequence is conserved in chimpanzee and gorilla (>80% homology) whereas the SYN2 is closely related with macaque. The protein docking analysis of SYN2 shows five ionic interactions with Lys-256, Lys-539, Arg-475, Gln-536 and Gln-529 with His-121, Glu-467, Glu-472, Arg-458 and Asp-477 of CAPON. The TAAR6 have two interactions of Glu-33 and Gly-171 with Arg-85 and Lys-52 of the PPP3CC. Current computational study may play a significant role to recruit, analyze and cure the mysteries of schizophrenia neurodegenerative disorder.

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Acknowledgements

We thank Indiana State University for providing support to complete the manuscript. This work was supported by the Indiana State University start-up funds to YB. The work was also supported by the NIH Grant 5P30GM114737, the NIH Grant P20GM103466, and the NIH Grant U54 MD007584.

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Authors and Affiliations

  1. Department of Biology and The Center for Genomic Advocacy, Indiana State University, 600 Chestnut Street, Terre Haute, IN, 47809, USA

    Naureen Aslam Khattak & Yongsheng Bai

  2. University of Chinese Academy of Sciences, Beijing, China

    Sheikh Arslan Sehgal

  3. Department of Complementary and Integrative Medicine, University of Hawaii John A. Burns School of Medicine, Honolulu, HI, 96813, USA

    Youping Deng

  4. National Center of Colorectal Disease, Nanjing Municipal Hospital of Chinese Medicine, The Third Affiliated Hospital, Nanjing University of Chinese Medicine, Nanjing, 210001, China

    Youping Deng

Authors
  1. Naureen Aslam Khattak
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  2. Sheikh Arslan Sehgal
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  3. Yongsheng Bai
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  4. Youping Deng
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Corresponding authors

Correspondence to Yongsheng Bai or Youping Deng .

Editor information

Editors and Affiliations

  1. Georgia State University, Atlanta, Georgia, USA

    Zhipeng Cai

  2. University of Texas at Dallas, Richardson, Texas, USA

    Ovidiu Daescu

  3. Central South University, Changsha, China

    Min Li

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Khattak, N.A., Sehgal, S.A., Bai, Y., Deng, Y. (2017). Structure Modeling and Molecular Docking Studies of Schizophrenia Candidate Genes, Synapsins 2 (SYN2) and Trace Amino Acid Receptor (TAAR6). In: Cai, Z., Daescu, O., Li, M. (eds) Bioinformatics Research and Applications. ISBRA 2017. Lecture Notes in Computer Science(), vol 10330. Springer, Cham. https://doi.org/10.1007/978-3-319-59575-7_26

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  • DOI: https://doi.org/10.1007/978-3-319-59575-7_26

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  • Publisher Name: Springer, Cham

  • Print ISBN: 978-3-319-59574-0

  • Online ISBN: 978-3-319-59575-7

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