Computer-aided discovery of biological activity spectra for anti-aging and anti-cancer olive oil oleuropeins

Abstract

Aging is associated with common conditions, including cancer, diabetes, cardiovascular disease, and Alzheimer's disease. The type of multi-targeted pharmacological approach necessary to address a complex multifaceteddisease such as aging might take advantage of pleiotropic natural polyphenols affecting a wide variety of biological processes. We have recently postulated that the secoiridoids oleuropein aglycone (OA) and decarboxymethyl oleuropein aglycone (DOA), two complex polyphenols present in health-promoting extra virgin olive oil (EVOO), might constitute anew family of plant-produced gerosuppressant agents. This paper describes an analysis of the biological activity spectra (BAS) of OA and DOA using PASS (Prediction of Activity Spectra for Substances) software. PASS can predict thousands of biological activities, as the BAS of a compound is an intrinsic property that is largely dependent on the compound's structure and reflects pharmacological effects, physiological and biochemical mechanisms of action, and specific toxicities. Using Pharmaexpert, a tool that analyzes the PASS-predicted BAS of substances based on thousands of “mechanism-effect” and “effect-mechanism” relationships, we illuminate hypothesis-generating pharmacological effects, mechanisms of action, and targets that might underlie the anti-aging/anti-cancer activities of the gerosuppressant EVOO oleuropeins.

Discovery of a new mitochondria permeability transition pore (mPTP) inhibitor based on gallic acid

“…Research on mitochondriotropic antioxidants has been increasing over the last years. One viable and promising strategy involves the use of dietary polyphenolic antioxidants templates along with the chemical modulation of their properties, including mitochondrial targeting ability, efficacy, and toxicity 25 . In this context, some mitochondria-targeted polyphenolic-based molecules have been developed including MitoResveratrol, MitoCurcumin, and MitoQuercetin 26–28 .…”

Probing Downstream Olive Biophenol Secoiridoids

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