Exploring the antihypertensive potential of natural compounds from Zygophyllum sp plant: An in-silico investigation of ACE inhibition

1 WHO; 2023. [https://www.who.int/news-room/fact-sheets/detail/hypertension] Search in Google Scholar

2 Kitt J, Fox R, Tucker KL, McManus RJ. New approaches in hypertension management: a Review of current and developing technologies and their potential impact on hypertension care. Curr Hypertens Rep. 2019;21(6):44. Search in Google Scholar

3 Ott C, Schmieder RE. Diagnosis and treatment of arterial hypertension 2021. Kidney Int. 2022;101(1):36-46. Search in Google Scholar

4 Khalil H, Zeltser R. Antihypertensive medications. In: StatPearls. Treasure Island (FL): StatPearls Publishing; 2023. [http://www.ncbi.nlm.nih.gov/books/NBK554579/] Search in Google Scholar

5 Tedla YG, Bautista LE. Drug side effect symptoms and adherence to antihypertensive medication. Am J Hypertens. 2016;29(6):772-9. Search in Google Scholar

6 Verma T, Sinha M, Bansal N, Yadav SR, Shah K, Chauhan NS. Plants used as antihypertensive. Nat Prod Bioprospect. 2021;11(2):155-84. Search in Google Scholar

7 Bhuyan BJ, Mugesh G. Angiotensin converting enzyme inhibitors in the treatment of hypertension. Curr Sci. 2011;101(7):881-7. Search in Google Scholar

8 Brown NJ, Vaughan DE. Angiotensin-converting enzyme inhibitors. Circulation. 1998;97(14):1411-20. Search in Google Scholar

9 Hilleman DE. Role of angiotensin-converting-enzyme inhibitors in the treatment of hypertension. Am J Health-Syst Pharm. 2000;1 (57 suppl_1):S8-11. Search in Google Scholar

10 Cui W, Aouidate A, Wang S, Yu Q, Li Y, Yuan S. Discovering anti-cancer drugs via computational methods. Front Pharmacol. 2020;11:733. Search in Google Scholar

11 Cox PB, Gupta R. Contemporary computational applications and tools in drug discovery. ACS Med Chem Lett. 2022;13(7):1016-29. Search in Google Scholar

12 Zhang Y, Luo M, Wu P, Wu S, Lee TY, Bai C. Application of computational biology and artificial intelligence in drug design. Int J Mol Sci. 2022;23(21):13568. Search in Google Scholar

13 Min KA, Zhang X, Yu J yu, Rosania GR. Computational approaches to analyse and predict small molecule transport and distribution at cellular and subcellular levels. Biopharm Drug Dispos. 2014;35(1):15-32. Search in Google Scholar

14 Yosri M, Elaasser MM, Abdel-Aziz MM, Hassan MM, Alqhtani AH, Al-Gabri N, et al. Determination of therapeutic and safety effects of Zygophyllum coccineum extract in induced inflammation in rats. BioMed Res Int. 2022;18:1-17. Search in Google Scholar

15 Mohammedi Z. Phytochemical, antidiabetic and therapeutic properties of Zygophyllum. Herb Med J. 2021;5(4):163-77. Search in Google Scholar

16 Rachid A, Rabah D, Farid L, Zohra SF, Houcine B, Nacéra B. Ethnopharmacological survey of medicinal plants used in the traditional treatment of diabetes mellitus in the North Western and South Western Algeria. J Med Plants Res. 2012;6(10):97-103. Search in Google Scholar

17 Zygophyllum L. WFO; 2023. [http://worldfloraonline.org/taxon/wfo-4000041345]. Search in Google Scholar

18 Akhgar MR, Rajaei P, Poshteshirani F. Composition of the essential oil of Zygophyllum eurypterum from Iran. Chem Nat Compd. 2015;51(3):577-8. Search in Google Scholar

19 Kchaou M, Salah HB, Mnafgui K, Abdennabi R, Gharsallah N, Elfeki A, et al. Chemical composition and biological activities of Zygophyllum album (L.) Essential oil from Tunisia. J Agr Sci Tech. 2016;18:1499-510. Search in Google Scholar

20 Mnafgui K, Kchaou M, Ben Salah H, Hajji R, Khabbabi G, Elfeki A, et al. Essential oil of Zygophyllum album inhibits key-digestive enzymes related to diabetes and hypertension and attenuates symptoms of diarrhea in alloxan-induced diabetic rats. Pharm Biol. 2016;54(8):1326-33. Search in Google Scholar

21 Mostafavi H, Vahiddost M, Solimanzadeh R. Chemical composition of essential oil of Zygophyllum fabago L. from North-West Iran. Int J Herb Med. 2015;2(6): 34-37. Search in Google Scholar

22 Tigrinekordjani N, Meklati B, Chemat F. Analysis by gas chromatography–mass spectrometry of the essential oil of Zygophyllum album L., an aromatic and medicinal plant growing in Algeria. Int J Aromatherapy. 2006;16(3-4):187-91. Search in Google Scholar

23 PubChem. [https://pubchem.ncbi.nlm.nih.gov/] Search in Google Scholar

24 ChemSpider. [http://www.chemspider.com/] Search in Google Scholar

25 Chemical, Computing Group Inc. Molecular Operating Environment (MOE). 1010 Sherbooke St. West, Suite #910. Montreal, QC, Canada. H3A 2R7; 2014. Search in Google Scholar

26 Bernstein KE, Giani JF, Shen XZ, Gonzalez-Villalobos RA. Renal angiotensin-converting enzyme and blood pressure control. Curr Opin Nephrol Hypertens. 2014;23(2):106-12. Search in Google Scholar

27 Herman LL, Padala SA, Ahmed I, et al. Angiotensin-Converting Enzyme Inhibitors (ACEI). In: StatPearls. Treasure Island (FL): StatPearls Publishing; 2023. [https://www.ncbi.nlm.nih.gov/books/NBK431051/]. Search in Google Scholar

28 Ibrahim SL, Jiroutek MR, Holland MA, Sutton BS. Utilization of angiotensin converting enzyme inhibitors (ACEI) and angiotensin receptor blockers (ARB) in patients diagnosed with diabetes: Analysis from the National Ambulatory Medical Care Survey. Prev Med Rep. 2016;3:166-70. Search in Google Scholar

29 Khurana V, Goswami B. Angiotensin converting enzyme (ACE). Clin Chim Acta. 2022;524:113-22. Search in Google Scholar

30 RCSB Protein Data. [https://www.rcsb.org/search] Search in Google Scholar

31 Natesh R, Schwager SLU, Sturrock ED, Acharya KR. Crystal structure of the human angiotensin-converting enzyme-lisinopril complex. Nature. 2003;421(6922):551-4. Search in Google Scholar

32 Soga S, Shirai H, Kobori M, Hirayama N. Use of amino acid composition to predict ligand-binding sites. J Chem Inf Model. 2007; 47(2):400-6. Search in Google Scholar

33 Zheng L, Meng J, Jiang K, Lan H, Wang Z, Lin M, et al. Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term. Brief Bioinform. 2022;23(3):1-15. Search in Google Scholar

34 Grinter S, Zou X. Challenges, Applications, and recent advances of protein-ligand docking in structure-based drug design. Molecules. 2014;19(7):10150-76. Search in Google Scholar

35 Li J, Fu A, Zhang L. An overview of scoring functions used for protein–ligand interactions in molecular docking. Interdiscip Sci Comput Life Sci. 2019;11(2):320-8. Search in Google Scholar

36 Pagadala NS, Syed K, Tuszynski J. Software for molecular docking: a review. Biophys Rev. 2017;9(2):91-102. Search in Google Scholar

37 Jain AN. Scoring functions for protein-ligand docking. Curr Protein Pept Sci. 2006;7(5):407-20. Search in Google Scholar

38 Guedes IA, Pereira FSS, Dardenne LE. Empirical scoring functions for structure-based virtual screening: Applications, critical aspects, and challenges. Front Pharmacol. 2018;9:1089. Search in Google Scholar

39 Pason LP, Sotriffer CA. Empirical scoring functions for affinity prediction of protein-ligand complexes. Mol Inform. 2016; 35(11-12):541-8. Search in Google Scholar

40 Wang Z, Wang X, Kang Y, Zhong H, Shen C, Yao X, et al. Binding affinity and dissociation pathway predictions for a series of USP7 inhibitors with pyrimidinone scaffold by multiple computational methods. Phys Chem Chem Phys. 2020;22(10):5487-99. Search in Google Scholar

41 Liu J, Wang R. Classification of current scoring functions J. Chem. Inf. Model. 2015;55(3):475-82 Search in Google Scholar

42 Veber DF, Johnson SR, Cheng HY, Smith BR, Ward KW, Kopple KD. Molecular properties that influence the oral bioavailability of drug candidates. J Med Chem. 2002;45(12):2615-23. Search in Google Scholar

43 Lipinski CA. Lead- and drug-like compounds: the rule-of-five revolution. Drug Discov Today Technol. 2004;1(4):337-41. Search in Google Scholar

44 Violeta I, Miroslav R, Biljana A, Aleksandra P. Lipinski’s rule of five, famous extensions and famous exceptions. Chem N. 2020;3(1):171-81. Search in Google Scholar

45 Daina A, Michielin O, Zoete V. SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules. Sci Rep. 2017;7(1):42717. Search in Google Scholar

46 Arbi B, Bouchentouf S, EL-Shazly M. Investigation of the potential antidiabetic effect of Zygophyllum sp. by studying the interaction of its chemical compounds with Alpha-Amylase and DPP-4 enzymes using a molecular docking approach. CEI. 2023;19(2):100-8. Search in Google Scholar

47 Ke C, Zhu X, Zhang Y, Shen Y. Metabolomic characterization of hypertension and dyslipidemia. Metabolomics. 2018;14(9):117. Search in Google Scholar

48 Anjos PJC, Lima AO, Cunha PS, De Sousa DP, Onofre ASC, Ribeiro TP, et al. Cardiovascular effects induced by linalool in normotensive and hypertensive rats. Z Naturforsch C J Biosci. 2013;68(5-6):181-90. Search in Google Scholar

49 Camargo SB, Simões LO, Medeiros CFDA, De Melo Jesus A, Fregoneze JB, Evangelista A, et al. Antihypertensive potential of linalool and linalool complexed with β-cyclodextrin: Effects of subchronic treatment on blood pressure and vascular reactivity. Biochem Pharmacol. 2018;151:38-46. Search in Google Scholar

50 Olofsson P, Hultqvist M, Hellgren LI, Holmdahl R. Phytol: A chlorophyll component with anti-inflammatory and metabolic properties. In: Jacob C, Kirsch G, Slusarenko A, Winyard PG, Burkholz T (eds). Recent advances in redox active plant and microbial products. Netherlands: Springer; 2014:345-59. Search in Google Scholar

51 Mercola J, D’Adamo CR. Linoleic Acid: A narrative review of the effects of increased intake in the standard American diet and associations with chronic disease. Nutrients. 2023;15(14):3129. Search in Google Scholar

52 Miura K, Stamler J, Nakagawa H, Elliott P, Ueshima H, Chan Q, et al. Relationship of dietary linoleic acid to blood pressure: The international study of macro-micronutrients and blood pressure study. Hypertension. 2008;52(2):408-14. Search in Google Scholar