In Silico Identification and in Vitro Activity of Natural Products as ADP-ribosyl transferase member 8 (ARTD8) Inhibitors

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Natural products have long been a productive source of drug leads for the development of new therapies including anti-infectives and anti-cancer agents. Identifying potential targets of these natural products may assist in designing more tolerable treatments for a range of diseases. One such target may be the ADP-ribosyl transferase member 8 (ARTD8, alternatively named PARP14, BAL2 andCOAST6), a post-translational modifier enzyme with an associated role in promoting disease-progression in many cancers, including prostate and hepatocellular cancer. However, there is currently a lack of experiment evidence to prove the association between natural products and ARTD8inhibition. 


Actives from natural products with a documented anti-cancer activity were docked into the catalytic site of 3SMI.pdb using PyRx and AutoDock Vina. Lead compounds from the docking studies were also assessed for their in vitro activity against ARTD8 at 20 mM and 10 mM concentrations. 


In silico docking revealed epigallocatechin gallate (EGCG), trans-resveratrol,indol-3-carbinol, curcumin, quercetin, and naringenin as potential ARTD8 inhibiting compounds. The subsequent in vitro assay revealed EGCG and quercetinas lead compounds, with EGCG displaying complete inhibition at 10 mM.Both EGCG and quercetin docked poses where shown to span across the nicotinamide and adenine sub-sites of the catalytic domain, interacting with conserved residues Ser1641 and/or Ser1607 and Tyr1646 of ARTD8. 


The in silico docking and in vitro studies present both EGCG and quercitin as potential ARTD8 inhibiting compounds. Structural analysis of these leads also suggests that themeta-hydroxy group on the catechin ring B backbone maybe responsible for these inhibition effects. 


Conference2020 Bond University HSM Medical and Postgraduate Students Research Conference
OtherThe virtual conference will showcase the broad spectrum of interdisciplinary research and project works undertaken by the graduating Doctor of Medicine students and HSM postgraduate students; as well as hearing from stimulating keynote speakers who are leader in their field. Areas of research include Medicine (Emergency Medicine, Internal Medicine, General Practice, Surgery, Obstetrics and Gynaecology, Paediatrics, Medical Education, Mental Heath), Planetary and Global Health, Biomedical Science, Exercise and Sports Science/Performance, Health Sciences, Healthcare Innovations, Nutrition and Dietetics, Occupational Therapy as well as Physiotherapy.
This conference provides an opportunity for all Bond medical students and HSM postgraduate students to meet as one group, to hear the stories and reflections from their peers about how they have connected theory, evidence based research and educational practice to influence their approaches to health care practice and contribute to new knowledge.
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