Abstract:
Cervical cancer, the most prevalent type of cancer in women globally, develops from aberrant cell proliferation in the cervix—the connecting channel between the upper uterus and the vagina. Persistent infection with certain forms of human papillomavirus (HPV) is the primary underlying cause of cervical cancer. The protein which plays the key role in the transformation of normal cells is HPV16 E6 oncoprotein. Treatments available for cervical cancer such as surgery, chemotherapy and radiotherapy are quite cost- ineffective with adverse side effects. Current project focuses on several computer aided drug design (CADD) techniques that will be used such as target protein identification, ligand structure and physiochemical properties analysis, molecular docking, and ligand base virtual screening to identify highly potent novel compounds against the target protein (HPV16 E6). The findings of this study have provided important insights into the potential of phytocompounds as HPV16 E6 protein inhibitors for the treatment of cervical cancer. Strong binding affinities were detected for the ligands tested, which included Luteolin, Berberine, Apigenin, Kaempferol, and Isorhamnetin. This suggests that these compounds could be used as lead molecules for future experimental validation and optimization. However, further in-depth in-vitro and in-vivo studies are required to validate the mode of action, safety, and efficacy of these lead compounds.
Page(s):
389-389
DOI:
DOI not available
Published:
Journal: Abstract Book on International Conference on Food and Applied Sciences (ICFAS-23) 3-5 August 23, Volume: 0, Issue: 0, Year: 2023
Keywords:
protein
,
Cervical Cancer
,
HPV16 E6
,
inhibitors
,
Phytocompounds
,
Computeraided drug design CADD