title: A novel formulation of veggies with potent liver detoxifying activity.
abstract: LXR (encoded by NR1H2 and 3) and FXR (known as bile acid receptor) encoded by NR1H4 (nuclear receptor subfamily 1, group H and member 4) are nuclear receptors in humans and are important regulators of bile acid production, cholesterol, fatty acid and glucose homeostasis hence responsible for liver detoxification. Several strategies for drug design with numerous ligands for this target have failed owing to the inability of the ligand to access the target/receptor or their early metabolisation. In this work, we have evaluated FXR and LXR structure bound with agonist and compared the binding energy affinity of active ligands present in live green-real veggies with reference drugs (ligands) present in the market. A high throughput screening combined with molecular docking, absorption, distribution, metabolism, excretion and toxicity (ADMET) predictions, log P values and percentage of human oral absorption value led to the identification of two compounds present in live green-real veggies with strong potential for liver detoxification.
authors: Neiss Wellness India Limited, Mumbai 400064, India.
authors: Mohit M
authors: MM
authors: Jain
authors: Neiss Wellness India Limited, Mumbai 400064, India.
authors: Nirmala
authors: N
authors: Kumari
authors: Department of Molecular and Human Genetics, Banaras Hindu University, Varanasi 221005, India.
authors: Geeta
authors: G
authors: Rai
mesh_terms: D003198:Computer Simulation; D055808:Drug Discovery; D057166:High-Throughput Screening Assays; D006801:Humans; D008658:Inactivation, Metabolic; D008099:Liver / Q000737:chemistry / Q000187:drug effects* / Q000378:metabolism; D000071518:Liver X Receptors; D062105:Molecular Docking Simulation; D057093:Orphan Nuclear Receptors / Q000737:chemistry / Q000378:metabolism; D010936:Plant Extracts / Q000737:chemistry* / Q000378:metabolism / Q000494:pharmacology*; D018160:Receptors, Cytoplasmic and Nuclear / Q000737:chemistry / Q000378:metabolism; D014675:Vegetables / Q000737:chemistry*; D000099150:Receptor, Farnesoid X-Activated
chemical_list: D000071518:Liver X Receptors; D057093:Orphan Nuclear Receptors; D010936:Plant Extracts; D018160:Receptors, Cytoplasmic and Nuclear; D000099150:Receptor, Farnesoid X-Activated; C000605210:NR1H2 protein, human