Abstract：
To explore the physiological role and/or pharmacological effects of ommochrome, which is a natural organic pigment widely distributed in Protostomia, we attempted to investigate the influence of ommochrome on RT-PCR and activities of restriction enzymes. It was found that ommin, an ommochrome purified from the diapause eggs of Bombyx mori, inhibited the RT-PCR and restriction enzyme activities. The mechanism of these inhibitory reactions is assumed to be the direct binding of ommochrome to DNA rather than acting against the enzymes because, similarly to actinomycin D, there is a phenoxazine ring in the structure of ommin that is known to be intercalated to DNA. To reveal the ommin/DNA interaction, it was investigated by computational approaches such as molecular docking, molecular dynamics simulation, and free energy calculation. From the computational analyses, it was expected that ommin would bind to DNA with almost the same strength as actinomycin D and intercalate into DNA. This is the first report on the pharmacological effect of ommochrome and its inhibitory mechanism obtained from biochemical and computational analyses.
摘要：
探讨ommochrome的生理作用和/或药理作用，它是一种天然的有机颜料，广泛分布于原口，我们试图研究全色素对RT-PCR和限制性内切酶活性的影响。发现ommin,从家蚕滞育卵中纯化的全色素，抑制RT-PCR和限制性内切酶活性。这些抑制反应的机制被认为是全色素与DNA的直接结合，而不是对酶起作用，因为，类似于放线菌素D，ommin的结构中有一个吩恶嗪环，已知它可以插入DNA中。为了揭示ommin/DNA的相互作用，它是通过分子对接等计算方法进行研究的，分子动力学模拟,和自由能计算。从计算分析来看，预计ommin将以与放线菌素D几乎相同的强度与DNA结合并插入DNA中。这是从生化和计算分析中获得的有关ommochrome的药理作用及其抑制机制的第一份报告。
