The ability of phenolic compounds from Morus nigra to modulate sarco-endoplasmic Ca2+-ATPase (SERCA1) activity was analyzed. Enzyme activity decrease correlated with the binding energy of agents to SERCA1. Results from theoretical and experimental approaches were coherent in identifying binding sites to SERCA1. Albanol A inhibited SERCA1 by immersion in the luminal gate at the site of Ca2+ release. Kuwanon U exerted an inhibitory effect by preventing ATP binding in the cytosolic region of SERCA1, and this was associated with conformational alterations. On the basis of similarities of SERCA isoforms, the viability of beta-cells containing SERCA2b was analyzed. Both correlation of viability and negative correlation of SERCA2b expression with SERCA1 activity were found for agents with the highest binding energy to SERCA1. The compounds studied may regulate viability and apoptosis of pancreatic beta-cells via modulation of SERCA activity. Novel pharmacological interventions in diabetes may be realized via compounds restoring ER calcium levels.

中文翻译：

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桑树中的酚类化合物可能通过SERCA活性调节胰腺β细胞的活力和凋亡。

分析了桑属中酚类化合物调节肌内膜Ca2 + -ATPase（SERCA1）活性的能力。酶活性降低与试剂与SERCA1的结合能相关。理论和实验方法的结果在确定与SERCA1的结合位点方面是一致的。棉酚A通过浸入Ca2 +释放部位的腔门中抑制SERCA1。Kuwanon U通过阻止SERCA1胞质区域中的ATP结合发挥抑制作用，这与构象改变有关。基于SERCA同工型的相似性，分析了含有SERCA2b的β细胞的活力。对于与SERCA1结合能最高的药物，发现SERCA2b的生存力与SERCA1b活性的负相关。研究的化合物可能通过调节SERCA活性来调节胰腺β细胞的活力和凋亡。可以通过恢复ER钙水平的化合物来实现糖尿病的新型药理干预措施。