• Dr. R. Dhanalakshmi
• Akshaya.R
• Abinesh.V
• Varsha.R
• Mohamed shameer.M

Asthma is chronic airway inflammatory disease that is raising highest prevalence in industrialized countries worldwide. There is a high incidence of usage of complementary medicine for asthma. In traditional systems of medicine, many plants have been documented to be useful for the treatment of various respiratory disorders including asthma. Adhatoda vasica (Family: Acanthaceae) is a small evergreen shrub found many regions of India and throughout the world. It is well known medicine for bronchitis, asthma and other pulmonary infections. Cysteinyl leukotriene receptor type1 (CysLT1R) mediates inflammatory processes and plays a major role in numerous disorders, including asthma, allergic rhinitis, cardiovascular disease, and cancer. The objective of the present study is to investigate the anti-asthmatic activity of phytoconstituents from the ethanolic root extract of Adhatoda vasica against CysLT1R insilico docking by using Schrodinger Maestro version 2021-4 Insilco ADMET screening also performed by qikprop module of Schrodinger suit. The results showed the interactions between CysLT1R with 6 phytocompounds, a natural compound vitamin E showed the best glide docking XP score -7.52453 kcal/mol and the binding energy value of -73.71167776 kcal/mol. The ADMET screening of the designed compounds have almost all the properties of the compounds are within the recommended values. Based on the result, Vitamin E and target were run on MD simulations stable at 10 ns. Finally, this study concludes that the Vitamin E is a suitable drug candidate for reduces alleviates asthmatic features.

Anti-asthmatic activity, CysLT1R, Phytoconstituents, Molecular docking, ADMET property, MD simulations

"In Silico Investigation Of Phytoconstituents Of Medicinal Herb 'Adhatoda Vasica' Against Asthma By Molecular Docking And Admet Prediction", International Journal of Emerging Technologies and Innovative Research (www.jetir.org), ISSN:2349-5162, Vol.10, Issue 3, page no.c569-c578, March-2023, Available :http://www.jetir.org/papers/JETIR2303264.pdf

"In Silico Investigation Of Phytoconstituents Of Medicinal Herb 'Adhatoda Vasica' Against Asthma By Molecular Docking And Admet Prediction", International Journal of Emerging Technologies and Innovative Research (www.jetir.org | UGC and issn Approved), ISSN:2349-5162, Vol.10, Issue 3, page no. ppc569-c578, March-2023, Available at : http://www.jetir.org/papers/JETIR2303264.pdf