Abdelhafez OH, Fawzy MA, Fahim JR, Desoukey SY, Krischke M, Mueller MJ, Abdelmohsen UR (2018) Hepatoprotective potential of Malvaviscus arboreus against carbon tetrachloride-induced liver injury in rats. PLoS One 13:e0202362. https://doi.org/10.1371/journal.pone.0202362

Article  CAS  PubMed  PubMed Central  Google Scholar 

Balakumar P, Tanaja G (2012) Fish oil and vascular endothelial protection: bench to bedside. Free Radic Biol Med 53:271–279. https://doi.org/10.1016/j.freeradbiomed.2012.05.005

Article  CAS  PubMed  Google Scholar 

Boughalleb N, Débbabi N, Jannet HB, Mighri Z, El Mahjoub M (2005) Antifungal activity of volatile components extracted from leaves, stems and flowers of four plants growing in Tunisia. Phytopathol Mediterr 44:307–312. https://doi.org/10.14601/Phytopathol_Mediterr-1806

Bradley M, Waller CL (2001) Polarizability fields for use in three-dimensional quantitative structure-activity relationship (3D-QSAR). J Chem Inf Comput Sci 41:1301–1307. https://doi.org/10.1021/ci0004659

Article  CAS  PubMed  Google Scholar 

Campbell WB, Falck JR (2007) Arachidonic acid metabolites as endothelium-derived hyperpolarizing factors. Hypertension 49:590–596. https://doi.org/10.1161/01.HYP.0000257904.26075.2f

Article  CAS  PubMed  Google Scholar 

Cavaiuolo M, Cocetta G, Ferrante A (2013) The antioxidants change in ornamental flowers during development and senescence. Antioxidants 2:132–155. https://doi.org/10.3390/antiox2030132

Article  CAS  PubMed  PubMed Central  Google Scholar 

Dafni A, Böck B (2019) Medicinal plants of the Bible—revisited. J Ethnobiol Ethnomed 15:57. https://doi.org/10.1186/s13002-019-0338-8

Article  PubMed  PubMed Central  Google Scholar 

Darlami J, Sharma S (2024) The role of physicochemical and topological parameters in drug design. Front Drug Discov 4:1424402. https://doi.org/10.3389/fddsv.2024.1424402

Article  Google Scholar 

Das S, Kwon M, Kim JY (2024) Enhancement of specialized metabolites using CRISPR/Cas gene editing technology in medicinal plants. Front Plant Sci 15:1279738. https://doi.org/10.3389/fpls.2024.1279738

Article  PubMed  PubMed Central  Google Scholar 

De Gennaro CV, Rossoni G, Rigamonti A, Bonomo S, Manfredi B, Berti F, Muller E (2002) Enalapril and quinapril improve endothelial vasodilator function and aortic eNOS gene expression in L-NAME-treated rats. Eur J Pharmacol 450:61–66. https://doi.org/10.1016/s0014-2999(02)02046-0

Article  Google Scholar 

Dong X, Wang Y, Liu T, Wu P, Gao J, Xu J, Yang B, Hu Y (2011) Flavonoids as vasorelaxant agents: synthesis, biological evaluation and quantitative structure-activity relationship (QSAR) studies. Molecules 16:8257–8272. https://doi.org/10.3390/molecules16108257

Article  CAS  PubMed  PubMed Central  Google Scholar 

Filimonov DA, Lagunin AA, Gloriozova T, Rudik AV, Druzhilovskii DS, Pogodin PV, Poroikov VV (2014) Prediction of the biological activity spectra of organic compounds using the PASS online web resource. Chem Heterocycl Compd 50:444–457. https://doi.org/10.1007/s10593-014-1496-1

Article  CAS  Google Scholar 

Fu JY, Qian LB, Zhu LG, Liang HT, Tan YN, Lu HT, Lu JF, Wang HP, Xia Q (2011) Betulinic acid ameliorates endothelium-dependent relaxation in L-NAME-induced hypertensive rats by reducing oxidative stress. Eur J Pharm Sci 44:385–391. https://doi.org/10.1016/j.ejps.2011.08.025

Article  CAS  PubMed  Google Scholar 

Gackowski M, Szewczyk-Golec K, Mądra-Gackowska K, Pluskota R, Koba M (2022) Quantitative structure-activity relationship analysis of isosteviol-related compounds as activated coagulation factor X (FXa) inhibitors. Nutrients 14:3521. https://doi.org/10.3390/nu14173521

Article  CAS  PubMed  PubMed Central  Google Scholar 

Ghose AK, Crippen GM (1987) Atomic physicochemical parameters for three-dimensional-structure-directed quantitative structure-activity relationships. 2. Modeling dispersive and hydrophobic interactions. J Chem Inf Comput Sci 27:21–35. https://doi.org/10.1021/ci00053a005

Article  CAS  PubMed  Google Scholar 

Hernández-Abreu O, Castillo-España P, León-Rivera I, Ibarra-Barajas M, Villalobos-Molina R, González-Christen J, Vergara-Galicia J, Estrada-Soto S (2009) Antihypertensive and vasorelaxant effects of tilianin isolated from Agastache mexicana are mediated by NO/cGMP pathway and potassium channel opening. Biochem Pharmacol 78:54–61. https://doi.org/10.1016/j.bcp.2009.03.016

Article  CAS  PubMed  Google Scholar 

Huang X, Wang T, Wang L, Sun Y, Zhang Z, Zhang Y (2024) Two-point immobilization of M3 muscarinic receptor: a method for recognizing receptor antagonists in natural products. BMC Chem 18:94. https://doi.org/10.1186/s13065-024-01198-z

Article  CAS  PubMed  PubMed Central  Google Scholar 

Jiménez-Cabrera PA, Hernández-Juárez M, Espinosa-Sánchez G, Mendoza-Castelán G, Bell-Torrijos-Almazán M (2015) Conocimiento en medicina tradicional y su contribución al desarrollo rural: estudio de caso región Totonaca, Veracruz. Rev Mex Cienc Agríc 6:1791–1805. https://doi.org/10.29312/remexca.v6i8.496

Lee SW, Han H (2021) Methylene blue application to lessen pain: its analgesic effect and mechanism. Front Neurosci 15:663650. https://doi.org/10.3389/fnins.2021.663650

Article  PubMed  PubMed Central  Google Scholar 

Li H, Hardy CD, Reidl CT, Jing Q, Xue F, Cinelli M, Silverman RB, Poulos TL (2024) Crystallographic and computational insights into isoform-selective dynamics in nitric oxide synthase. Biochemistry 63:788–796. https://doi.org/10.1021/acs.biochem.3c00601

Article  CAS  PubMed  Google Scholar 

Li H, Huang C, Li Y, Wang P, Sun J, Bi Z, Xia S, Xiong Y, Bai X, Huang X (2024) Ethnobotanical study of medicinal plants used by the Yi people in Mile, Yunnan. China J Ethnobiol Ethnomed 20:22. https://doi.org/10.1186/s13002-024-00656-1

Article  PubMed  Google Scholar 

Lu GH, Yuan X, Zhao YH (2001) Qsar study on the toxicity of substituted benzenes to the algae (Scenedesmus obliquus). Chemosphere 44:437–440. https://doi.org/10.1016/s0045-6535(00)00214-9

Article  CAS  PubMed  Google Scholar 

Luan F, Xu X, Cordeiro MNDS, Liu H, Zhang X (2013) Qsar modeling for the antimalarial activity of 1,4-naphthoquinonyl derivatives as potential antimalarial agents. Curr Comput Aided Drug Des 9:95–107. https://doi.org/10.2174/1573409911309010009

Article  CAS  PubMed  Google Scholar 

Mohs RC, Greig NH (2017) Drug discovery and development: role of basic biological research. Alzheimers Dement (n y) 3:651–657. https://doi.org/10.1016/j.trci.2017.10.005

Article  PubMed  Google Scholar 

Olğaç A, Orhan IE, Banoglu E (2017) The potential role of in silico approaches to identify novel bioactive molecules from natural resources. Future Med Chem 9:1665–1686. https://doi.org/10.4155/fmc-2017-0124

Article  CAS  PubMed  Google Scholar 

Pettersen EF, Goddard TD, Huang CC, Couch GS, Greenblatt DM, Meng EC, Ferrin TE (2004) UCSF chimera–a visualization system for exploratory research and analysis. J Comput Chem 25:1605–1612. https://doi.org/10.1002/jcc.20084

Article  CAS  PubMed  Google Scholar 

Prusakiewicz JJ, Felts AS, Mackenzie BS, Marnett LJ (2004) Molecular basis of the time-dependent inhibition of cyclooxygenases by indomethacin. Biochemistry 43:15439–15445. https://doi.org/10.1021/bi048534q

Article  CAS  PubMed  Google Scholar 

Rahimi R, Nikfar S, Larijani B, Abdollahi M (2021) A review on the role of betulinic acid in hypertension and endothelial dysfunction. Phytother Res 35:637–646. https://doi.org/10.1002/ptr.6832

Article  CAS  Google Scholar 

Raman CS, Li H, Martásek P, Southan G, Masters BS, Poulos TL (2001) Crystal structure of nitric oxide synthase bound to nitro indazole reveals a novel inactivation mechanism. Biochemistry 40:13448–13455. https://doi.org/10.1021/bi010957u

Article  CAS  PubMed  Google Scholar 

Rameshrad M, Babaei H, Azarmi Y, Fouladi DF (2016) Rat aorta as a pharmacological tool for in vitro and in vivo studies. Life Sci 145:190–204. https://doi.org/10.1016/j.lfs.2015.12.043