Evaluation of medicinal plants' effects for inhibition of H۱ receptor to control and treatment of allergic diseases using the bioinformatics approach

Publish Year: 1400
نوع سند: مقاله کنفرانسی
زبان: English
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HPMECONF01_006

تاریخ نمایه سازی: 11 شهریور 1400

Abstract:

Allergic diseases are caused by the immune system's extreme reaction to harmless substances. The H۱ receptor is one of histamine receptors that play a significant role in causing allergy symptoms. Herbal active ingredients have been introduced to reduce allergy symptoms with fewer side effects. First, herbal active ingredients effective in reducing allergy symptoms were found from articles; the structures of these substances were collected from the PubChem database. The best H۱R structure was also obtained using PDB and SWISS-MODEL databases, next, they were docked with H۱R by vina AutoDock software. Furthermore, the structures of available antihistamines were docked with the H۱R. Finally, the properties of the active ingredients having the highest affinity to H۱R were collected from different servers. The results showed that Beta-carotene, an active ingredient of Daucus carota L, Cordia myxa, Asparagus officinalis, Ilex guayusa, Plantago major L, Hibiscus sabdariffa, Crocus sativus, and Allium sativum, had a greater affinity than other active ingredients and antihistamines except Doxepin. Using the lazar Toxicity Predictions and way۲drug databases, it was found that the active ingredients with the highest affinity have many beneficial medicinal properties and relatively few side effects and can probably be considered as anti-allergic agents. Beta-carotene, ۲- [۴-Methyl-۶- (۲,۶,۶-trimethylcyclohex-۱-enyl) hexa-۱,۳,۵-trienyl] cyclohex-۱-en-۱-carboxaldehyde Alpha-carotene, Antheraxanthin, Luteolin ۴'-O-Glucoside, Licoisoflavone B and ۱,۷-Bis (۴-hydroxyphenyl) -۱-heptene-۳,۵-dione had a high affinity to H۱R compared to existing antihistamines, these substances can be introduced as anti-allergic substances with fewer side effects. However, in-vivo and in-vitro studies to confirm the results of this study need to be performed to prove their characteristics.

Authors

Negar Mojiri

Farzanegan High School, Khomeyni Shahr, Iran

Negar Balmeh

Sima Danesh High School, Khomeini Shahr, Isfahan, Iran

Samira Mahmoudi

Sima Danesh High School, Khomeini Shahr, Isfahan, Iran