Methyl-coenzyme M Reductase (MCR) Receptor as Potential Drug Target for Inhibiting Methanogenesis in Horses Using Moringa oleifera L.: An in Silico Docking Study.

Methane (CH4) emission from nonruminant livestock, particularly equines, is a colossal burden for veterinarians worldwide. In view of this, the present context was investigated to predict the antimethanogenic attributes of Moringa oleifera L. associated phytocomponents by targeting methyl-coenzyme M reductase (MCR) receptor in horses using in silico tools. Initially, the pharmacokinetics and ADME (absorption, distribution, metabolism, and excretion) properties of 26 phytocomponents were analyzed using Lipinski's rule of five and Swiss ADME tool, respectively. Among all the tested phytocomponents, 3,5-bis(1,1-dimethylethyl)-phenol, Kaempferol, Moringyne, Niazimisin, and Tetradecanoic acid showed drug-likeness traits with no violation. The molecular docking analysis of selected phytocomponents against MCR receptor was carried out using Hex 8.0.0 docking software. Results estimated the highest binding energy of Tetradecanoic acid against MCR receptor with maximum docking E-value of -142.98 KJ/mol, followed by Niazimisin (-133.98 KJ/mol), Kaempferol (-110.36 KJ/mol), 3,5-bis(1,1-dimethylethyl)-phenol (-93.72 KJ/mol), and Moringyne (-92.62 KJ/mol). In conclusion, Tetradecanoic acid can be utilized as a pronounced antimethanogenic agent in order to develop efficacious CH4 mitigating drugs by inhibiting the methanogenesis mechanism. Most importantly, this in silico outcomes can certainly reduce the cost of in vivo studies strategy toward the development of antimethanogenic drugs for horses in the future.

Evaluating Hemolytic and Photo Hemolytic Potential of Organophosphorus by In Vitro Method as an Alternative Tool Using Human Erythrocytes.

AIMS: The present study aims to determine the phototoxic and haemolytic activity of organophosphorus. The use of alternative in vitro assays with human erythrocytes is suggested to predict the polluting effect of these products on health. METHODOLOGY: Human erythrocytes from Toluca Blood Bank were used. Sodium dodecyl sulfate was employed as a positive control. Additionally, the haemolysis percentage of three organophosphate (Acetate, Chlorpyrifos, Malathion, Methamidophos, Methyl Parathion) induced photo haemolysis formulated with surfactants on a concentration of 2 x 109 erythrocytes were evaluated. Finally, the products were classified as irritant or phototoxic. RESULTS: Results showed that the HC50 red blood cells were similar for each organophosphate (Malathion and Methamidophos) indicating very irritant action with ratio classification (L/D) of 0.041 and 0.053, respectively. On the other hand, Chlorpyrifos was classified as an irritant with L/D= 0.14. On the other hand, the HC50 obtained photo hemolysis assays irradiated red blood cells was similar for each organophosphate (Acetate, Chlorpyrifos, Malathion, Methamidophos, Methyl Parathion) indicating no phototoxic action. CONCLUSION: As a conclusion, it can be said that the parameters of haemolysis and denaturation of proteins are good indicators to classify organophosphorus formulated with surfactants as irritating or phototoxic.