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@article{194593,
        author = {Mrs.K.SUGANYASRI and DR.R.SUNDHARARAJAN and ABDUL RAHEEM.A and HARI.M and MOHAMED EIRFHAAN SHAIK DAWOOD.J and MUHAMMED IBRAHIM.P},
        title = {IN SILICO IDENTIFICATION OF NOVEL PRAP PROTEIN INHIBITORS THROUGH MOLECULAR DOCKING AND ADMET PROFILING OF PUBCHEM-DERIVED COMPOUNDS},
        journal = {International Journal of Innovative Research in Technology},
        year = {2026},
        volume = {12},
        number = {10},
        pages = {4469-4481},
        issn = {2349-6002},
        url = {https://ijirt.org/article?manuscript=194593},
        abstract = {Proline-rich acidic protein 1 (PRAP1) is a multifunctional protein involved in epithelial homeostasis, lipid metabolism, and cellular stress responses. Recent studies highlight its role in gastrointestinal protection and its interaction with p53-mediated pathways, suggesting its importance in maintaining cellular integrity and preventing tumour progression. Dysregulation of PRAP1 expression has been associated with various pathological conditions, including cancer, making it a promising therapeutic target.In this study, an in-silico drug discovery approach was employed to identify potential PRAP1 inhibitors using molecular docking and ADMET profiling. A library of small-molecule compounds was retrieved from the PubChem database and subjected to structure-based virtual screening against the PRAP1 protein. Docking analysis was performed to evaluate binding affinity, interaction stability, and key protein–ligand interactions within the predicted active site.Several compounds demonstrated strong binding energies and favourable interaction patterns with essential amino acid residues of PRAP1. The top-ranked candidates further exhibited acceptable pharmacokinetic and drug-likeness properties based on ADMET analysis. These findings suggest that the identified compounds may serve as promising lead molecules for future experimental validation.Overall, this study highlights the significance of computational strategies in accelerating early-stage drug discovery and provides a foundation for the development of novel therapeutics targeting PRAP1-associated diseases.},
        keywords = {PRAP1; Molecular Docking; Virtual Screening; ADMET Profiling; Drug Discovery},
        month = {March},
        }