Screening of rosmarinic acid from Salvia miltiorrhizae acting on the novel target TRPC1 based on the ‘homology modelling–virtual screening–molecular docking–affinity assay–activity evaluation’ method

References

• Ambudkar IS, de Souza LB, Ong HL. 2017. TRPC1, Orai1, and STIM1 in SOCE: friends in tight spaces. Cell Calcium. 63:33–39.
   PubMed Web of Science ®Google Scholar
• Antigny F, Sabourin J, Sauc S, Bernheim L, Koenig S, Frieden M. 2017. TRPC1 and TRPC4 channels functionally interact with STIM1L to promote myogenesis and maintain fast repetitive Ca2+ release in human myotubes. Biochim Biophys Acta Mol Cell Res. 1864(5):806–813.
   PubMed Web of Science ®Google Scholar
• Bordoli L, Kiefer F, Arnold K, Benkert P, Battey J, Schwede T. 2009. Protein structure homology modeling using SWISS-MODEL workspace. Nat Protoc. 4(1):1–13.
   PubMed Web of Science ®Google Scholar
• Cai X, Yang F, Zhu L, Xia Y, Wu Q, Xue H, Lu Y. 2019. Rosmarinic acid, the main effective constituent of Orthosiphon stamineus, inhibits intestinal epithelial apoptosis via regulation of the Nrf2 pathway in mice. Molecules. 24(17):3027.
   PubMed Web of Science ®Google Scholar
• Cao SS, Yan M, Hou ZY, Chen Y, Jiang YS, Fan X, Fang PF, Zhang BK. 2017. Danshen modulates Nrf2-mediated signaling pathway in cisplatin-induced renal injury. J Huazhong Univ Sci Technolog Med Sci. 37(5):761–765.
   PubMedGoogle Scholar
• Cardullo N, Catinella G, Floresta G, Muccilli V, Rosselli S, Rescifina A, Bruno M, Tringali C. 2019. Synthesis of rosmarinic acid amides as antioxidative and hypoglycemic agents. J Nat Prod. 82(3):573–582.
   PubMed Web of Science ®Google Scholar
• Chen Z, Li J, Hou N, Zhang Y, Qiao Y. 2021. TCM-Blast for traditional Chinese medicine genome alignment with integrated resources. BMC Plant Biol. 21(1):339.
   PubMed Web of Science ®Google Scholar
• Du J, Sours-Brothers S, Coleman R, Ding M, Graham S, Kong DH, Ma R. 2007. Canonical transient receptor potential 1 channel is involved in contractile function of glomerular mesangial cells. J Am Soc Nephrol. 18(5):1437–1445.
   PubMed Web of Science ®Google Scholar
• Dyrda A, Koenig S, Frieden M. 2020. STIM1 long and STIM1 gate differently TRPC1 during store-operated calcium entry. Cell Calcium. 86:102134.
   PubMed Web of Science ®Google Scholar
• Gruneberg S, Stubbs MT, Klebe G. 2002. Successful virtual screening for novel inhibitors of human carbonic anhydrase: strategy and experimental confirmation. J Med Chem. 45(17):3588–3602.
   PubMed Web of Science ®Google Scholar
• Hof T, Chaigne S, Recalde A, Salle L, Brette F, Guinamard R. 2019. Transient receptor potential channels in cardiac health and disease. Nat Rev Cardiol. 16(6):344–360.
   PubMed Web of Science ®Google Scholar
• Hu J, Ren L. 1998. Experimental study of the effect of Danshen on the viability of burned skin. Chin J Pediatr Surg. 12:205–208.
   Google Scholar
• Hu W, Shi Z, Ye S, Xiang Y, Zeng C. 2019. Qishen-Yiqi dripping pills attenuate atherosclerosis by regulating Ca2+ homeostasis via TRPC1/STIM1 pathway. Chin J Pathophysiol. 35:686–691.
   Google Scholar
• Inoue R, Jensen LJ, Shi J, Morita H, Nishida M, Honda A, Ito Y. 2006. Transient receptor potential channels in cardiovascular function and disease. Circ Res. 99(2):119–131.
   PubMed Web of Science ®Google Scholar
• Jin Z, Du X, Xu Y, Deng Y, Liu M, Zhao Y, Zhang B, Li X, Zhang L, Peng C, et al. 2020. Structure of M(pro) from SARS-CoV-2 and discovery of its inhibitors. Nature. 582(7811):289–293.
   PubMed Web of Science ®Google Scholar
• Krout D, Schaar A, Sun Y, Sukumaran P, Roemmich JN, Singh BB, Claycombe-Larson KJ. 2017. The TRPC1 Ca2+-permeable channel inhibits exercise-induced protection against high-fat diet-induced obesity and type II diabetes. J Biol Chem. 292(50):20799–20807.
   PubMed Web of Science ®Google Scholar
• Martin-Bornez M, Galeano-Otero I, Del TR, Smani T. 2020. TRPC and TRPV channels’ role in vascular remodeling and disease. Int J Mol Sci. 21(17):6125.
   PubMed Web of Science ®Google Scholar
• MEIm XD, Cao YF, Che YY, Li J, Shang ZP, Zhao WJ, Qiao YJ, Zhang JY. 2019. Danshen: a phytochemical and pharmacological overview. Chin J Nat Med. 17(1):59–80.
   PubMed Web of Science ®Google Scholar
• Nagasundaram N, George PDC, Chakraborty C, Karthick V, Thirumal Kumar D, Balaji V, Siva R, Lu A, Ge Z, Zhu H. 2016. Mechanism of artemisinin resistance for malaria pfatp6 L263 mutations and discovering potential antimalarials: an integrated computational approach. Sci Rep. 6:30106.
   PubMed Web of Science ®Google Scholar
• Orgah JO, He S, Wang Y, Jiang M, Wang Y, Orgah EA, Duan Y, Zhao B, Zhang B, Han J, et al. 2020. Pharmacological potential of the combination of Salvia miltiorrhiza (Danshen) and Carthamus tinctorius (Honghua) for diabetes mellitus and its cardiovascular complications. Pharmacol Res. 153:104654.
   PubMed Web of Science ®Google Scholar
• Prakriya M, Lewis RS. 2015. Store-operated calcium channels. Physiol Rev. 95(4):1383–1436.
   PubMed Web of Science ®Google Scholar
• Sun S. 2008. Study on metabolism of rosmarinic acid in Salvia miltiorrhiza [Master’s thesis]. Harbin, China: Heilongjiang University of Chinese Medicine.
   Google Scholar
• Sun Y, Zhang H, Selvaraj S, Sukumaran P, Lei S, Birnbaumer L, Singh BB. 2017. Inhibition of l-type Ca2+ channels by TRPC1–STIM1 complex is essential for the protection of dopaminergic neurons. J Neurosci. 37(12):3364–3377.
   PubMed Web of Science ®Google Scholar
• Tie Y, McPhail B, Hong H, Pearce BA, Schnackenberg LK, Ge W, Buzatu DA, Wilkes JG, Fuscoe JC, Tong W, et al. 2012. Modeling chemical interaction profiles: II. Molecular docking, spectral data–activity relationship, and structure–activity relationship models for potent and weak inhibitors of cytochrome P450 CYP3A4 isozyme. Molecules. 17(3):3407–3460.
   PubMed Web of Science ®Google Scholar
• Wang H, Cheng X, Tian J, Xiao Y, Tian T, Xu F, Hong X, Zhu MX. 2020. TRPC channels: structure, function, regulation and recent advances in small molecular probes. Pharmacol Ther. 209:107497.
   PubMed Web of Science ®Google Scholar
• Wang J, Jiang Q, Wan L, Yang K, Zhang Y, Chen Y, Wang E, Lai N, Zhao L, Jiang H, et al. 2013. Sodium tanshinone IIA sulfonate inhibits canonical transient receptor potential expression in pulmonary arterial smooth muscle from pulmonary hypertensive rats. Am J Respir Cell Mol Biol. 48(1):125–134.
   PubMed Web of Science ®Google Scholar
• Wang X, Qi X, Bian Y, Chen X, Zhang Y, Fang Z. 2017. Huangqi Danshen decoction attenuates isoproterenol-induced myocardial remodeling via STIM1, TRPC1, CaN and Nfatc3 pathways in rats. Chin J Chin Mater Med. 42:2738–2743.
   Google Scholar
• Yang L. 2018. Research on the material basis of "Good Relationship" medicine on Danshen-Dalbergia [dissertation]. Xi’an, China: Northwest University.
   Google Scholar
• Zhang C, Li Q, Meng L, Ren Y. 2020. Design of novel dopamine D2 and serotonin 5-HT2A receptors dual antagonists toward schizophrenia: an integrated study with QSAR, molecular docking, virtual screening and molecular dynamics simulations. J Biomol Struct Dyn. 38(3):860–885.
   PubMed Web of Science ®Google Scholar
• Zheng L. 2010. Research on the content and genetic diversity of the main chemical components of Salvia miltiorrhiza from different sources [master’s thesis]. Yangling, China: Northwest Agriculture & Forestry University.
   Google Scholar
• Zhou D. 2013. Study on the pharmacodynamic material basis of Danhong injection in the treatment of myocardial ischemia/reperfusion injury in rats by pharmacodynamic differential serum chromatography [master’s thesis]. Xi’an, China: Air Force Medical University.
   Google Scholar
• Zhou H, Yan X. 2017. Research progress of Salvia miltiorrhiza polyphenolic acid for injection. Heilongjiang Sci Technol Inform. 73:11.
   Google Scholar
• Zou J, Chen Y, Hoi M, Li J, Wang T, Zhang Y, Feng Y, Gao J, Lee SMY, Cui G. 2018. Discovery of a novel ERp57 inhibitor as antiplatelet agent from Danshen (Salvia miltiorrhiza). Evid Based Complement Alternat Med. 2018:9387568.
   PubMed Web of Science ®Google Scholar