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2015 ; 10
(11
): e0141719
Nephropedia Template TP
gab.com Text
Twit Text FOAVip
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English Wikipedia
Potential Compounds for Oral Cancer Treatment: Resveratrol, Nimbolide,
Lovastatin, Bortezomib, Vorinostat, Berberine, Pterostilbene, Deguelin,
Andrographolide, and Colchicine
#MMPMID26536350
Bundela S
; Sharma A
; Bisen PS
PLoS One
2015[]; 10
(11
): e0141719
PMID26536350
show ga
Oral cancer is one of the main causes of cancer-related deaths in South-Asian
countries. There are very limited treatment options available for oral cancer.
Research endeavors focused on discovery and development of novel therapies for
oral cancer, is necessary to control the ever rising oral cancer related
mortalities. We mined the large pool of compounds from the publicly available
compound databases, to identify potential therapeutic compounds for oral cancer.
Over 84 million compounds were screened for the possible anti-cancer activity by
custom build SVM classifier. The molecular targets of the predicted anti-cancer
compounds were mined from reliable sources like experimental bioassays studies
associated with the compound, and from protein-compound interaction databases.
Therapeutic compounds from DrugBank, and a list of natural anti-cancer compounds
derived from literature mining of published studies, were used for building
partial least squares regression model. The regression model thus built, was used
for the estimation of oral cancer specific weights based on the molecular
targets. These weights were used to compute scores for screening the predicted
anti-cancer compounds for their potential to treat oral cancer. The list of
potential compounds was annotated with corresponding physicochemical properties,
cancer specific bioactivity evidences, and literature evidences. In all, 288
compounds with the potential to treat oral cancer were identified in the current
study. The majority of the compounds in this list are natural products, which are
well-tolerated and have minimal side-effects compared to the synthetic
counterparts. Some of the potential therapeutic compounds identified in the
current study are resveratrol, nimbolide, lovastatin, bortezomib, vorinostat,
berberine, pterostilbene, deguelin, andrographolide, and colchicine.