The present molecular docking study stands useful for the design and development of novel drug algenic acid and fucoidan compound having better inhibitory activity against the selective western blot expressed apoptotic proteins (caspase-3, caspase-9 and β-actin) of human prostate cancer cell line. The docking scores were highest for when alginic acid was docked against β-actin giving a docking score of -8.9081 kcal/mol followed by caspase-3 (-8.5634 kcal/mol), and caspase-9 (-8.2513 kcal/mol).

more »

... ikewise, when fucoidan was docked with caspase-9, it showed highest docking score of -8.5091 kcal/mol, followed by caspase-3 (-7.6683 kcal/mol), and β-actin (-7.6636 kcal/mol). Among the three docked proteins against algenic acid, caspase-9 gave a minimum docking score, which concludes that alginic acid controls caspase-9 expression. Likewise, fucoidan compound, gave a minimum docking score with control expression of β-actin. The Log P, lower hydrogen bond counts, confirming the capability of algenic acid and fucoidan for binding at the active site of the receptor. This potential drug candidate can further be validated by wet lab studies for its proper function.