Virtual Screening of Aerva Lanta On 7dfl Receptor for Antiasthamatic Activity
Year: 2025
Type: article
Abstract: Based on the provided data on the toxicity of various ligands with varying MW, lipkinski’s rule of five violations, bioavailability scores, lead likeness violations were analyzed and the following conclusions can be drawn: Rutin, Narcissin, and Canthin-6-one exhibit significant toxicity, particularly in terms of carcinogenicity and hypertoxicity. Quercetin, Myricetin, Isorhamnetin, Kaempferol, Feru loylty ramine, Ferulic acid, Gallic acid, P- Coumaric acid, and Apigetrin show varying levels of toxicity, but generally are less toxic compared to Rutin, Narcissin, and Canthin-6-one. Methergine, Vanillic acid, Melilotic acid, and Kaempferol-3-rhamnogalactoside appear to be relatively safer options with low toxicity. PHBA HYDRAXOBENZOIC ACID demonstrates low toxicity but some potential for respiratory toxicity. Among the tested ligands several exhibit low predicted toxicity levels, indicating their potential safety for the therapeutic or industrial application. Ligands such as quercetin, myricetin, isorhamnetin, kaempferol, and ferulic acid demonstrate moderate toxicity level, suggesting the need for cautious consideratiom in their usage. Overall, while some ligands like Rutin, Narcissin, and Canthin-6-one pose significant health risks, others present moderate to low toxicity levels. Further studies may be needed to fully understand the mechanisms and implications of their toxicity in different contexts.
Author: Dinesh Kawade*, Sejal Kshirsagar, Shriya Bagh, Shikha Shahu, Yashika Bhattad
Language: English
Subfield: Computational Theory and Mathematics
Field: Computer Science
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W6949322986
FWCI:
Cites:
Cited by:
Related to: