Bryostatin 1 is a natural occurring product containing 47 carbon, 17 oxygen, and 68 hydrogen atoms.  It is extracted from Bugula neritina, a species of bryozoans and has been found to be a modulator of protein kinase C.  This discovery has lead to the compound being seen as a possible anti-cancer and memory-enhancing agent.  Several analogs of Bryostatin 1 have been synthesized since its discovery.  These analogs have not been as active medicinally.  Using a variety of computational tools, the conformationally difficult portion of Bryostatin 1 was analyzed to explore reasons for its synthetic challenge.  A variety of its analogs were similarly analyzed and these differences are presented.

Computational analysis of bryostatin 1: Difficulties, conformational energies, and analog reactivity differences

245th National Meeting (2013)

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