ISSN2320-2882
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Paper Title
HOMOLOGY MODELING AND VIRTUAL SCREENING STUDIES OF HPT PROTEIN TO TARGET TUBERCULOSIS BY IDENTIFYING LEAD COMPOUNDS
Authors
Dr. Rumandla Lavanya , Dr. Pagudala Adavi Raju
Keywords
Mycobacterium tuberculosis, Purine salvage pathway, Modeller, Virtual screening, ADME.
Abstract
Tuberculosis, caused by Mycobacterium Tuberculosis (Mtb), is a leading cause of death, with 10.7 million new cases and 1.23 million deaths expected worldwide by 2024. The Hypoxanthine guanine phosphoribosyltransferase protein (hpt) belongs to the purine/pyrimidine phosphoribosyl transferase (PRTase) family and is used to discover active ligand molecules that inhibit the purine salvage pathway. The homology simulated 3D model was created with modeler 9.13 software. The final structure was validated, and the active site was identified using pre-requisite predictitions. The protein's three-dimensional structure consists of nine sheets and twelve helices. The grid was built on the active site, followed by virtual screening using the drug bank ligand database. The majority of the lead compounds acquired contain imidazole moieties and derivatives as pharmacophore groups in their structures. The target protein amino acid residues identified by virtual screening are Val69, Asp74, Arg77, Ile79, and Pro80, which are critical for ligand binding. The chosen lead compounds have permitted ADME characteristics and can inhibit the purine salvage pathway in Mtb. The imidazole structural scaffolds can be found in the ligand molecules of docked complexes Lig1, Lig 2, and Lig 3.
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IJCRT — journal style
"HOMOLOGY MODELING AND VIRTUAL SCREENING STUDIES OF HPT PROTEIN TO TARGET TUBERCULOSIS BY IDENTIFYING LEAD COMPOUNDS", IJCRT - International Journal of Creative Research Thoughts (www.ijcrt.org), ISSN:2320-2882, Vol.13, Issue 12, page no.i852-i859, December 2025, Available :https://ijcrt.org/papers/IJCRT25A1313.pdf
APA — 7th edition
Lavanya, R., & Raju, P. A. (2025). HOMOLOGY MODELING AND VIRTUAL SCREENING STUDIES OF HPT PROTEIN TO TARGET TUBERCULOSIS BY IDENTIFYING LEAD COMPOUNDS. International Journal of Creative Research Thoughts, 13(12), i852-i859. https://ijcrt.org/viewpaperforall.php?paper=IJCRT25A1313
MLA — 9th edition
Lavanya, Rumandla, and Pagudala Adavi Raju. "HOMOLOGY MODELING AND VIRTUAL SCREENING STUDIES OF HPT PROTEIN TO TARGET TUBERCULOSIS BY IDENTIFYING LEAD COMPOUNDS." International Journal of Creative Research Thoughts, vol. 13, no. 12, 2025, pp. i852-i859, https://ijcrt.org/viewpaperforall.php?paper=IJCRT25A1313.
Chicago — 17th, bibliography
Lavanya, Rumandla, and Pagudala Adavi Raju. "HOMOLOGY MODELING AND VIRTUAL SCREENING STUDIES OF HPT PROTEIN TO TARGET TUBERCULOSIS BY IDENTIFYING LEAD COMPOUNDS." International Journal of Creative Research Thoughts 13, no. 12 (2025): i852-i859. https://ijcrt.org/viewpaperforall.php?paper=IJCRT25A1313.
Harvard — author–date
Lavanya, R. and Raju, P.A. (2025) 'HOMOLOGY MODELING AND VIRTUAL SCREENING STUDIES OF HPT PROTEIN TO TARGET TUBERCULOSIS BY IDENTIFYING LEAD COMPOUNDS', International Journal of Creative Research Thoughts, 13(12), pp. i852-i859. Available at: https://ijcrt.org/viewpaperforall.php?paper=IJCRT25A1313
IEEE — numbered reference
R. Lavanya and P. A. Raju, "HOMOLOGY MODELING AND VIRTUAL SCREENING STUDIES OF HPT PROTEIN TO TARGET TUBERCULOSIS BY IDENTIFYING LEAD COMPOUNDS," IJCRT, vol. 13, no. 12, pp. i852-i859, Dec. 2025.
Vancouver — biomedical
Lavanya R, Raju PA. HOMOLOGY MODELING AND VIRTUAL SCREENING STUDIES OF HPT PROTEIN TO TARGET TUBERCULOSIS BY IDENTIFYING LEAD COMPOUNDS. IJCRT. 2025 Dec;13(12):i852-i859.
AMA — 11th edition
Lavanya R, Raju PA. HOMOLOGY MODELING AND VIRTUAL SCREENING STUDIES OF HPT PROTEIN TO TARGET TUBERCULOSIS BY IDENTIFYING LEAD COMPOUNDS. IJCRT. 2025;13(12):i852-i859. Accessed at https://ijcrt.org/viewpaperforall.php?paper=IJCRT25A1313
BibTeX — Zotero, Mendeley, LaTeX
@article{IJCRT25A1313,
author = {Rumandla Lavanya and Pagudala Adavi Raju},
title = {HOMOLOGY MODELING AND VIRTUAL SCREENING STUDIES OF HPT PROTEIN TO TARGET TUBERCULOSIS BY IDENTIFYING LEAD COMPOUNDS},
journal = {International Journal of Creative Research Thoughts},
volume = {13},
number = {12},
pages = {i852-i859},
year = {2025},
month = {December},
issn = {2320-2882},
url = {https://ijcrt.org/viewpaperforall.php?paper=IJCRT25A1313}
}
RIS — EndNote, RefWorks
TY - JOUR
AU - Lavanya, Rumandla
AU - Raju, Pagudala Adavi
TI - HOMOLOGY MODELING AND VIRTUAL SCREENING STUDIES OF HPT PROTEIN TO TARGET TUBERCULOSIS BY IDENTIFYING LEAD COMPOUNDS
T2 - International Journal of Creative Research Thoughts
JA - IJCRT
VL - 13
IS - 12
PY - 2025
SN - 2320-2882
UR - https://ijcrt.org/viewpaperforall.php?paper=IJCRT25A1313
SP - i852-i859
ER -
Issue
Volume 13 Issue 12,
December-2025
Pages : i852-i859
Article Information
- Published In
- International Journal of Creative Research Thoughts — Volume 13, Issue 12, December 2025
- Pages
- i852-i859
- Published
- December 2025
- Registration ID
- IJCRT_299682
- Published Paper ID
- IJCRT25A1313
- Research Area
- Chemistry All
- Author Type
- Indian Author
- Location
- Hyderabad, Telanagana, India
- Peer Review
- Request Peer Review Report
- Licence
- CC BY 4.0 · Open Access
- ISSN & Impact Factor
- 2320-2882 · IF 9.17
- Downloads
- 191
- Permanent Link
- https://ijcrt.org/viewpaperforall.php?paper=IJCRT25A1313
- Published Paper PDF
- https://ijcrt.org/papers/IJCRT25A1313.pdf
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