Computational study of the inhibitory potential of Gongronema latifolium (benth) leave on farnesyl pyrophosphate synthase, a target enzyme in the treatment of osteoporosis. A molecular modelling approach

Background & Aim: Osteoporosis is an increasing medical threat which is referred to as a systemic skeletal disorder that is characterized mainly by low bone mass and microarchitectural wear of bone tissue and strength, which eventually results in an increase in the fragility of bone and makes bone to be susceptible to fracture. Osteoporosis is known globally as a severe health problem affecting approximately 200 million people worldwide. Therefore, a pharmacological solution is urgently needed. Studies have shown that farnesyl pyrophosphate synthase is a crucial enzyme in the mevalonate pathway that causes bone resorption, thus serving as a key pharmacological target. Experimental: Gongronema latifolium’s (Benth) phytoconstituents were screened against the mevalonate pathway enzyme farnesyl pyrophosphate synthase computationally using molecular docking, pharmacokinetics screening and Molecular Mechanics/Generalized Born Surface Area approach to identify compounds with the better inhibitorypotentials against this target in this study. Results: The study resulted that five compounds; hyperoside, rutin, epigallocatechin-3-gallate, kaempferol-3-arabinoside, and isoquercetin show a better inhibitory potential by binding to the active site of farnesyl pyrophosphate synthase compared with a co-crystalized ligand. These hit compounds were further subjected to pharmacokinetics studies to predict their drug-likeness and toxicity characteristics which show that all hit compounds except Rutin are drug-like leaving Kaempferol-3-Arabinoside as the most drug-like hit compound compared to the co-crystallized ligand. Recommended applications/industries: This study suggests that G. latifolium leaf could be a good plant source for a drug-like compound that may treat osteoporosis by inhibiting the farnesyl pyrophosphate synthase, in the mevalonate pathway, thereby stopping bone resorption

Facile synthesis of solar active charcoal passivated Ag₃PO₄ and their two-channel mechanisms for H₂O₂ formation in aerated water

This work presents the use of activated charcoal passivated-Ag3PO4 (CAgP) and bare Ag3PO4(AgP) nanoparticles (NPs) as effective photocatalysts for the generation of hydrogen peroxide (H2O2) in air-saturated water containing either formic acid (FA) or silver nitrate (AgNO3). The synthesized CAgP and pristine AgP were characterized using various state-of-the-art optical and electron microscopy techniques. The CAgP composites showed remarkable photocatalyzed H2O2 formation compared to bare AgP NPs. The CAgP photocatalyzed-assisted H2O2 formation from O2-saturated water under sunlight was achieved via two-channel mechanisms. First, in the presence of FA as a hole scavenger, enhanced H2O2 formation was facilitated by the decomposition of FA to produce proton (H+), followed by a spontaneous reduction of dissolved molecular oxygen by the valence band electrons. The second pathway involves the formation of H2O2 in the absence of electrons (using AgNO3 as an electron scavenger) which occurs via the oxidation of H2O by photo-induced holes to generate hydroxyl radicals (•HO) and the combination of •HO radicals to produce H2O2. The most notable feature of CAgP composite as a photocatalyst is the ease of H2O2 formation in O2/H2O and O2/H2O/FA system, as well as the ability to reuse the recovered CAgP catalyst for a few reaction cycles without losing substantial catalytic activity or mass.</p