Abstract: Trolox, chemically 6-hydroxy-2,5,7,8-tetramethylchroman-2-Carboxylic Acid, is a water-soluble derivative of vitamin E known for its potent antioxidant properties.
Our goal was to understand the best muscarinic acetylcholine enzyme (M3) inhibitors using Trolox derivative. Protein-Ligand interaction has a significant role in structure-based drug design. Totally 314 Trolox derivatives were retrieved with 90% similarity from pubchem database. ADMET screened compounds showed good solubility and absorption (3 level and 0 level) and medium level of BBB penetration. Also, screened compounds are free from noxious effect of hepatotoxicity, followed by no more evidence of interacting with liver enzymes. Consequently, few compounds are out casted during RO5 violation. Finally, compounds after docking showed significant dock score and interactions. Among all 133098(108.912) was consider as a best compound and it is very similar in structure to Trolox. Our studies therefore reveal that these Trolox derivatives could be potential aspirants for further evaluation using in-vivo and in-vitro approaches.
Keywords: Docking, Trolox derivatives, Intermolecular energy.
Title: ROLE OF TROLOX IN MUSCARINIC ACETYLCHOLINE RECEPTOR ACTIVITY-An In-silico approach
Author: Ravichandra Shivalingappa Davargaon, Asha Devi Sambe, Avijeet Maithy, Subramanyam Muthangi .V.V
International Journal of Life Sciences Research
ISSN 2348-313X (Print), ISSN 2348-3148 (online)
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