Discovery Of Effective Molecules for PROA Protein Inhibition of Mycobacterium tuberculosis - An In-Silico Technique

Authors

  • Thirupathi Damera Author
  • Vani Kondaparthi Author
  • Madhavilatha Bingi Author
  • Mounika Badineni Author
  • Ramesh Malikanti Author
  • Kiran Kumar Mustyala Author
  • Vasavi Malkhed Author

DOI:

https://doi.org/10.53555/AJBR.v27i4S.7247

Keywords:

Mycobacterium tuberculosis (MTB) · PROA protein· Homology modelling · Virtual screening · ADME

Abstract

One of the major universal causes of death is Tuberculosis. Despite the well-defined Tuberculosis pharmaceutical procedures, the lengthier treatment, medication tolerance, and harmfulness make disease control challenging. The present research focuses on the PROA, a protein that is crucial for catalyzing the reduction of L-glutamate 5-phosphate into L-glutamate 5-semialdehyde and phosphate. Utilising computational techniques, the homology modelling of the PROA protein model is created and verified. The 415 amino acids, which make up the PROA protein are organised into 18 helices and 16 sheets. The CASTp, FT-Site, and GalaxyWeb servers are used to determine the PROA protein's active site. The potential sites are ALA30, ARG204, VAL265 and CYS266. To discover the lead compounds, Schrodinger runs virtual screening tests. The Prime MM-GBSA programme is used to refine the lead compounds. The ADME properties of the lead compounds are calculated to ascertain their drug-like characteristics.

Author Biographies

  • Thirupathi Damera

    Molecular Modelling Research Laboratory, Department of Chemistry, University College of Science, Osmania University, Tarnaka, Hyderabad, Telangana State, 500007, India.

  • Vani Kondaparthi

    Molecular Modelling Research Laboratory, Department of Chemistry, University College of Science, Osmania University, Tarnaka, Hyderabad, Telangana State, 500007, India.

  • Madhavilatha Bingi

    Molecular Modelling Research Laboratory, Department of Chemistry, University College of Science, Osmania University, Tarnaka, Hyderabad, Telangana State, 500007, India.

  • Mounika Badineni

    Molecular Modelling Research Laboratory, Department of Chemistry, University College of Science, Osmania University, Tarnaka, Hyderabad, Telangana State, 500007, India.

  • Ramesh Malikanti

    Molecular Modelling Research Laboratory, Department of Chemistry, University College of Science, Osmania University, Tarnaka, Hyderabad, Telangana State, 500007, India.

  • Kiran Kumar Mustyala

    Department of Chemistry, Nizam College, Basheerbagh, Osmania University, Hyderabad, Telangana State, 500001, India.

  • Vasavi Malkhed

    Molecular Modelling Research Laboratory, Department of Chemistry, University College of Science, Osmania University, Tarnaka, Hyderabad, Telangana State, 500007, India.

    Department of Chemistry, University College of Science, Saifabad, Osmania University, Hyderabad, Telangana State, 500004, India.

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Published

2024-11-19

Issue

Vol. 27 No. 4S (2024): November Issue

Section

Research Article

License

Copyright (c) 2024 Thirupathi Damera, Vani Kondaparthi, Madhavilatha Bingi, Mounika Badineni, Ramesh Malikanti, Kiran Kumar Mustyala, Vasavi Malkhed (Author)

Creative Commons License

This work is licensed under a Creative Commons Attribution 4.0 International License.

How to Cite

Discovery Of Effective Molecules for PROA Protein Inhibition of Mycobacterium tuberculosis - An In-Silico Technique. (2024). African Journal of Biomedical Research, 27(4S), 14310-14329. https://doi.org/10.53555/AJBR.v27i4S.7247

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