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使用计算机多药理学方法鉴定多个蛋白质靶标和治疗化合物的方案。

Protocol to identify multiple protein targets and therapeutic compounds using an in silico polypharmacological approach.

机构信息

Department of Biotechnology and Bioinformatics, JSS Academy of Higher Education & Research, Mysore 570015, Karnataka, India.

Department of Pharmacology, JSS Medical College, JSS Academy of Higher Education & Research, Mysore 570015, Karnataka, India.

出版信息

STAR Protoc. 2023 Sep 15;4(3):102440. doi: 10.1016/j.xpro.2023.102440. Epub 2023 Aug 9.

Abstract

Polypharmacology aids in the identification of multiple protein targets involved in disease pathology and selecting appropriate therapeutic compounds interacting with protein targets. Here, we present a protocol to identify the targets involved in obesity-linked diabetes and suitable phytocompounds to bind with the identified target. We describe steps to install and use softwares for identifying several protein targets by linking multiple diseases. This protocol allows the use of therapeutic compounds of both phytochemical and synthetic origins. For complete details on the use and execution of this protocol, please refer to Martiz et al., and Maradesha et al..

摘要

多药理学有助于鉴定与疾病病理相关的多个蛋白质靶标,并选择与蛋白质靶标相互作用的合适治疗化合物。在这里,我们提出了一种鉴定与肥胖相关的糖尿病相关靶标以及与鉴定靶标结合的合适植物化合物的方案。我们描述了通过连接多种疾病来识别多个蛋白质靶标的软件安装和使用步骤。该方案允许使用植物化学物质和合成来源的治疗化合物。有关使用和执行此方案的完整详细信息,请参阅 Martiz 等人和 Maradesha 等人的研究。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f3db/10440594/56294e14c83f/fx1.jpg

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