公开(公告)号：US20160024689A1

公开(公告)日：2016-01-28

申请号：US14805783

申请日：2015-07-22

Applicant: Samsung Electronics Co., Ltd.

Inventor： Saswati DANA ,  Anirban BHADURI ,  Venkata Tadi SIVA KUMAR ,  Varun GIRI ,  Kyusang LEE ,  Taeyong KIM

IPC: C40B30/02 ,  G06F19/16

CPC classification number: G16B35/00 ,  G16B5/00 ,  G16C20/60 ,  G16C99/00

Abstract: Systems and methods for identifying enzymes for catalysing biochemical reactions include receiving input of reaction(s) and/or target molecule(s) along with data associated with chemical conversion, determining functional and linker region(s) in the input, scanning a transformation library for the determined functional region(s) of the reaction(s) and/or the target molecule(s) to find similar functional region(s) within the transformation library, assigning the reaction(s) and/or target molecule(s) to group(s) of the transformation library showing a high similarity to the transformation, computing a metabolite similarity score of the reaction(s) and/or target molecule(s) with respect to one or more reactions of the assigned group, and identifying enzyme(s) associated with the reaction(s) of the assigned group having a high metabolite similarity score. A transformation library is also generated.

Abstract translation: 用于鉴定用于催化生化反应的酶的系统和方法包括接收反应和/或靶分子的输入以及与化学转化相关的数据，确定输入中的功能和接头区域，扫描转化库 对于确定的反应的功能区和/或靶分子，以在转化文库中找到类似的功能区，分配反应和/或靶分子， 显示与转化高度相似的转化库的组，计算相对于所分配组的一个或多个反应的反应和/或靶分子的代谢物相似性得分，并鉴定 与具有高代谢物相似性得分的分配组的反应相关的酶。 还会生成转换库。