In Silico Functional Elucidation of Uncharacterized Proteins of Chlamydia Abortus Strain LLG

Abstract

Aim: This study reports structural modeling, molecular dynamics profiling of hypothetical proteins in Chlamydia abortus genome database. Methodology: The hypothetical protein sequences were extracted from C. abortus LLG Genome Database for functional elucidation using in silico methods. Results: Fifty-one proteins with their roles in defense, binding and transporting other biomolecules were unraveled. Forty-five proteins were found to be nonhomologous to proteins present in hosts infected by C. abortus. Of these, 31 proteins were related to virulence. The structural modeling of two proteins, first, WP_006344020.1 (phosphorylase) and second, WP_006344325.1 (chlamydial protease/proteasome-like activity factor) were accomplished. The conserved active sites necessary for the catalytic function were analyzed. Conclusion: The finally concluded proteins are envisioned as possible targets for developing drugs to curtail chlamydial infections, however, and should be validated by molecular biological methods.

Lay abstract Sequencing technologies have generated abundant data on genome and proteins of an organism. The hypothetical proteins are those whose existence is predicted by computational analysis of genes or protein sequences, but practical evidence to prove them are lacking. This study predicts functions of hypothetical proteins in Chlamydia abortus by computational and bioinformatics methods, determining their 3D structures by structural genomics, homology modeling with known proteins and annotating possible catalytic sites. These findings may be helpful for evolving strategies to curtail Chlamydia abortus infection.

Graphical Abstract

Keywords::

• Chlamydia abortus
• functional annotation
• hypothetical proteins

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Corrigendum

Supplementary data

To view the supplementary data that accompany this paper please visit the journal website at: www.future-science.com/doi/full/10.4155/fsoa-2016-0066

Authors contributions

V Singh, M Kumar and F Marotta were involved in concept, mining and annotation of hypothetical proteins and their implications. G Singh, D Sharma and J Rani predicted the protein structures and analyzed the data. B Singh and G Mal were involved in consortium planning, fund raising and manuscript writing.

Acknowledgements

The authors are thankful the Central University of Himachal Pradesh, and Director, CSIR-IHBT, Palampur for providing necessary facilities.

Financial & competing interests disclosure

The financial support from SERB-DST to perform the work is duly acknowledged. The authors have no other relevant affiliations or financial involvement with any organization or entity with a financial interest in or financial conflict with the subject matter or materials discussed in the manuscript apart from those disclosed.

No writing assistance was utilized in the production of this manuscript.

Additional information

Funding

The financial support from SERB-DST to perform the work is duly acknowledged. The authors have no other relevant affiliations or financial involvement with any organization or entity with a financial interest in or financial conflict with the subject matter or materials discussed in the manuscript apart from those disclosed.