International Journal of Science and Research (IJSR)

International Journal of Science and Research (IJSR)
Call for Papers | Fully Refereed | Open Access | Double Blind Peer Reviewed

ISSN: 2319-7064


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Research Paper | Toxicology Science | India | Volume 13 Issue 5, May 2024 | Rating: 5.2 / 10


Toxicity Prediction of Selected Phytochemicals of Hatisur Weed (Heliotropium indicum Linnaeus) and Synthetic Medicines: An In Silico Approach by Using ProTox-II Tool

Animesh Mandal | Soumendra Nath Talapatra [12]


Abstract: Heliotropium indicum Linnaeus is a common medicinal weed known as Hatisur in Bengali and many parts of the Asian country. This plant contains several phytochemicals, which are used for many disorders and also anti-inflammatory agent. This study predicted different types of toxicity parameters viz. acute toxicity (rat oral LD50), organ toxicity, toxicity and genotoxicity endpoints of selected phytochemicals of H. indicum and synthetic medicines (Indomethacin and Ibuprofen) by using ProTox-II online tool. The phytocompounds Heliotridine, Retronecine and ?-Linalool were predicted class V, may be harmful if swallowed. All the phytochemicals were predicted inactive, while both the synthetic medicines were found active for hepatoxicity. All compounds were obtained non-neurotoxic except Trachelanthamidine and Indomethacin. There were 5 compounds viz. Heleurine, Heliotridine, Trachelanthamidine, ?-Linalool and Ibuprofen non-nephrotoxic. Only 2 compounds viz. ?-Linalool and Ibuprofen were found inactive for respiratory toxicity. All compounds were obtained clinical toxicity inactive while only 1 compound (Indomethacin) was obtained immunotoxic. Regarding toxicity endpoints, only 1 compound (?-Linalool) was obtained ecotoxic. Only 5 compounds viz. Indicine N-oxide, Trachelanthamidine, Supinine, ?-Linalool and Ibuprofen were obtained inactive for clinical toxicity while. only 3 compounds viz. Trachelanthamidine, ?-Linalool and Ibuprofen were found inactive for nutritional toxicity. All compounds were found non-cytotoxic and non-mutagenic while only 3 compounds viz. were ?-Linalool, Indomethacin and Ibuprofen were obtained non-carcinogenic. In conclusion, ?-Linalool can be used as non-toxic phytocompound and substituted as synthetic medicines viz. Indomethacin and Ibuprofen. Moreover, experimental assay is suggested to validate the present prediction with this phytocompound.


Keywords: Anti-inflammatory agent, Heliotropium indicum, Predictive toxicity, In silico, Toxicity endpoints


Edition: Volume 13 Issue 5, May 2024,


Pages: 685 - 689


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