Spatial Organization of Biological Fuctions | BPS Thematic Meeting

Spatial Organization of Biological Functions Meeting

Poster Abstracts

10-POS

Board 10

STRUCTURAL-AFFINITY RELATIONSHIP OF GINGEROLS WITH LASR INHIBITION OF QUORUM-SENSING Ashiq Mahammad 1 ; Asimul Islam 1 ; 1 Jamia Millia Islamia , Centre for Interdisciplinary Research In Basic Sciences, New Delhi, India The bacterial communication mechanism known as quorum sensing is a promising therapeutic target for treating bacterial infections. This study explored the potential of gingerols, bioactive compounds found in ginger, to inhibit this pathway by targeting the LASR protein. We used a range of in silico tools to assess the drug-like properties, safety, and binding affinity of three gingerol compounds. The ProTox-3.0 platform classified all three gingerols as toxicity class 3, with an estimated oral LD50 of 250 mg/kg, indicating a favorable safety profile. The SwissADME analysis further supported their therapeutic potential by confirming that none of the compounds violated Lipinski's Rule of Five, a key indicator for developing oral medications. Molecular docking studies showed that 6-Gingerol had the highest binding affinity for the LASR protein and formed crucial interactions with its essential amino acid residues. These results suggest that gingerols could be effective quorum-sensing inhibitors. This work provides a strong foundation for future experimental validation through in vitro and in vivo studies to fully understand their therapeutic potential.

33