Vol. 6 (05) pp. 932-940 DOI: 10.21474/IJAR01/7114

STRUCTURE BASED DOCKING STUDIES TOWARDS EXPLORING POTENTIAL ANGIOTENSIN-I RECEPTOR BLOCKERS OF SELECTED ALANGIUM SALVIFOLIUM PHYTOCHEMICALS AGAINST PROTECTIVE VASCULAR REMODELING.

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Abstract

ACE is an important drug target in the treatment of vesicular diseses. ACE is primarily known for its ability to cleave Angiotensin -I to the vasoactive octa peptide Angiotensin-II, but is also able to cleave a number of other substrates including the vasodilator a physiological modulator of hematopoiesis. In present study virtual screening of Alangium salvifolium phytocompounds act as Angiotensin-I inhibitor and assess its molecular basis of inhibition. The present research computationally emphases to Angiotensin-I protein receptor with four Alangium phytocompounds, using molecular docking and simulation studies. From the results showed the interactions be?tween 4YAY (Angiotensin-I) receptor protein with A. salvifolium phytocompounds, a alangum1(Alangium-1(4(benzoyloxy)methyl-2hydroxyphenoxy tetrahydorxy hexoxone 1,2,3,4,5, pentaium ) showed the best glide docking XP score -8.5 kcal/mol binding energy value with best fit simulation study .. Based on the result, the Alangium-1 and target were run on MD simulations stable at 10 ns. Finally, this study concludes the Alangium-1 is a more suitable drug for vesicular remodeling by blocking Angiotensin signaling cascade.

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How to Cite This Article

Mohammad Nadeem Khan. (2018); STRUCTURE BASED DOCKING STUDIES TOWARDS EXPLORING POTENTIAL ANGIOTENSIN-I RECEPTOR BLOCKERS OF SELECTED ALANGIUM SALVIFOLIUM PHYTOCHEMICALS AGAINST PROTECTIVE VASCULAR REMODELING., International Journal of Advanced Research (IJAR), 6 (05), 932-940, ISSN 2320-5407. DOI: https://doi.org/10.21474/IJAR01/7114

Corresponding Author

MOHAMMAD NADEEM KHAN
SOS IN BIOTECHNOLOGY, BASTAR UNIVERSITY, JAGDALPUR

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