Identification of Borassus Flabellifer Sap Compounds Against Angiotensin- Converting Enzyme for Potential Antihypertensive Inhibitors
Life Sciences-Medicine
DOI:
https://doi.org/10.22376/ijpbs/lpr.2022.12.5.P191-197.Keywords:
Angiotensin, Angiotensin-Converting Enzyme, ACE Inhibitors, Borassus Flabellifer, Molecular DockingAbstract
On a global scale, cardiovascular problems have become more important recently. The existing treatments for high blood pressure are generally unsuccessful and painful for patients. Since it poses a significant risk to the cardiovascular system and the general public's health, hypertension should be carefully managed. Hypertension with a systolic reading is extremely harmful. As a result, there is increased interest in creating antihypertensive drugs with natural ingredients. The study's key finding is that Borassus flabellifer sap comprises significant bioactive components, including 9,10-Anthracenedione. The angiotensin-converting enzyme (ACE), which converts angiotensin I into the active peptide vasoconstrictor hormone angiotensin II, may be inhibited by Borassus flabellifer, according to an in-silico investigation. The 9,10-Anthracenedione and ACE molecular docking investigation revealed extremely low binding energy (-8.6 kcal/mol). One must be aware of the ACE inhibitors that are already on the market to choose an efficient ACE inhibitor. Docking interactions of 9,10-Anthracenedione hence strongly imply its potential as an antihypertensive substance. It is a possible bioactive Borassus flabellifer sap ingredient for the creation of nutraceuticals and functional foods, as well as a candidate for the development of an efficient antihypertensive medicine. According to the study's findings, Borassus flabellifer sap is a potent nutraceutical compound that can be used to treat antihypertensive.
References
Clark RD, Strizhev A, Leonard JM, Blake JF, Matthew JB. Consensus scoring for ligand/protein interactions. J Mol Graph Model. 2002;20(4):281-95. doi: 10.1016/s1093-3263(01)00125-5, PMID 11858637.
Gehlhaar DK, Verkhivker G, Rejto PA, Fogel DB, Fogel LJ. Docking conformationally flexible small molecules into a protein Binding Site through evolutionary programming. Proceedings of the fourth international conference on evolutionary programming 1995. p. 615-27.
Charifson PS, Corkery JJ, Murcko MA, Walters WP. Consensus scoring: A method for obtaining improved hit rates from docking databases of three-dimensional structures into proteins. J Med Chem. 1999;42(25):5100-9. doi: 10.1021/jm990352k, PMID 10602695.
Izzo JL, Black HR, Goodfriend TL. Hypertension primer: the essentials of high blood pressure. Lippincott Williams & Wilkins; 2003.
Natesh R, Schwager SL, Sturrock ED, Acharya KR. Crystal structure of the human angiotensin-converting enzyme-lisinopril complex. Nature. 2003;421(6922):551-4..
Advanced Chemistry Development, Inc. ACD/ChemSketch freeware. Version 12. Toronto, ON, Canada: Advanced Chemistry Development, Inc. Available from: http://www.acdlabs.com.
Hebbar KB, Arivalagan M, Manikantan MR, Mathew AC, Thamban C, Thomas GV et al. Chowdappa Coconut inflorescence sap and its value addition as sugar–collection techniques, yield, properties and market perspective. Curr Sci. 2015:1411-7.
Fissore D, T. McCoy Freeze-drying and process analytical technology for pharmaceuticals. Front Chem. 2018;6:622.
Weininger D. Smiles, a chemical language and information system. Introduction to methodology and encoding rules. J Chem Inf Comput Sci. 1998;28:31-6.
Sari BL, Mun’im A, Yanuar A, Riadhi R. Screening of α-glucosidase inhibitors from terminalia Catappa L. fruits using molecular docking method and in vitro test. Int J Pharm Pharm Sci. 2016;8(12):184-89. doi: 10.22159/ijpps.2016v8i12.14800.
Shobana M, inventor; Thilagavathi S , Method of Preparing nutrient Powder from Natural Extracts. Indin Patent 202041007640 A, 2020 Apr 4
C A, M S, Ts G. Structure-based docking studies toward exploring the potential anticancer activity of morin against non-melanoma skin cancer therapeutic drug targets. Asian J Pharm Clin Res. 2018;11(4):61-6. doi: 10.22159/ajpcr.2018.v11i4.23076.
Sussman JL, Lin D, Jiang J, Manning NO, Prilusky J, Ritter O, et al. Protein data bank (PDB): database of three-dimensional structural information of biological macromolecules. Acta Crystallogr D Biol Crystallogr. 1998;54(6 Pt 1):1078-84. doi: 10.1107/s0907444998009378, PMID 10089483.
Rarey M, Kramer B, Lengauer T, Klebe G. A fast flexible docking method using an incremental construction algorithm. J Mol Biol. 1996;261(3):470-89. doi: 10.1006/jmbi.1996.0477, PMID 8780787.
Gnanendra S, Anusuya S, Natarajan J. Molecular modeling and active site analysis of SdiA homolog, a putative quorum sensor for Salmonella typhimurium pathogenecity reveals specific binding patterns of AHL transcriptional regulators. J Mol Model. 2012;18(10):4709-19. doi: 10.1007/s00894-012-1469-1, PMID 22660944.
Stierand K, Maass PC, Rarey M. Molecular complexes at a glance: automated generation of two-dimensional complex diagrams. Bioinformatics. 2006;22(14):1710-6. doi: 10.1093/bioinformatics/btl150, PMID 16632493.
Tain Y-L, Hsu CN. Novel insights on dietary polyphenols for prevention in early-life origins of hypertension: a review focusing on preclinical animal models. Int J Mol Sci. 2022. Jun 14;23(12):23(12):6620. doi: 10.3390/ijms23126620, PMID 35743061.
Kumar R, Sharma R, Bairwa K, Roy RK, Kumar A, Baruwa A. Modern Development in ACE inhibitors. Pharm Lett. 2010;2(3):388-419.
Natesh R, Schwager SLU, Sturrock ED, Acharya KR. Crystal structure of the human angiotensin-converting enzyme-lisinopril complex. Nature. 2003;421(6922):551-4. doi: 10.1038/nature01370, PMID 12540854.
Cushman DW, Ondetti MA. Design of angiotensin converting enzyme inhibitors. Nat Med. 1999;5(10):1110-3. doi: 10.1038/13423, PMID 10502801.
Muthia R, Suganda AG, Sukandar EY. Angiotensin-I converting enzyme (ACE) inhibitory activity of several Indonesian medicinal plants. Res J Pharm Biol Chem Sci. 2017 [Suppl];8(1S):192-9.
Jandeleit-Dahm K, Cooper ME. Hypertension and diabetes: role of the renin-angiotensin system. Endocrinol Metab Clin North Am. 2006;35(3):469-90. vii. doi: 10.1016/j.ecl.2006.06.007, PMID , Google Scholar.
Kearney PM, Whelton M, Reynolds K, Muntner P, Whelton PK, He J. Global burden of hypertension: analysis of worldwide data. Lancet. 2005;365(9455):217-23. doi: 10.1016/S0140-6736(05)17741-1, PMID 15652604, Google Scholar.
White WB, Prisant LM, Wright JT Jr. Management of patients with hypertension and diabetes mellitus: advances in the evidence for intensive treatment. Am J Med. 2000;108(3):238-45. doi: 10.1016/s0002-9343(99)00444-1, PMID 10723978.
Park HA. Fruit intake to prevent and control hypertension and diabetes. Korean J Fam Med. 2021 Jan;42(1):9-16. doi: 10.4082/kjfm.20.0225, PMID 33524250.
Vázquez-Valadez VH, Abrego VH, Martínez PA, Torres G, Zúñiga O, Escutia D, et al. Docking studies of Methylthiomorpholin phenols (LQM300 series) with angiotensin-converting enzyme (ACE). Open Med Chem J. 2013;7:30-8. doi: 10.2174/1874104501307010030, PMID 24319502.
Walia A, Gupta AK, Sharma V. Role of bioactive compounds in human health. Acta Sci Med Sci. 2019;3(9):25-33.
Chandra Mohan S, Dinakar S, Anand T, Elayaraja R, SathiyaPriya B. Phytochemical, GC-MS analysis and antibacterial activity of a medicinal plant Acaly phaindica. Int J Pharm TechnolRes. 2012;4:1050-4.
Gothandam KM, Aishwarya R, Karthikeyan S. Preliminary screening of antimicrobial properties of few medicinal plants. J Phytol. 2010;2:1-6.
Siddiqui AA, Ali M. Practical pharmaceutical chemistry. 1stEdn, CBS Publishers and distributors, New Delhi, 126-31, 1997.
Selvakumarsivagnannam, Aravindkumar. Preliminary phytochemical analysis of Tabernaemontana alternifolia. Int J Pharm Biol Sci. 2014;5(2): (B) 283-287.
Evans WC. Trease and Evan’s pharmacognosy. 5thEdn, Haarcourt brace and company. Vol. 336; 2002.
Frankel E. Nutritional benefits of flavonoids, International conference on food factors: chemistry and cancer prevention, Hamamatsu, Japan. Admin S. 1995:C-2.
Gupta VK, Singh GD, Singh S, Kaul A. Medicinal plants: phytochemistry, Pharmacolgoy and therapeutics. Delhi: Daya Publishing House; 2010.
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