Natural products Markush

presentation · 8 years ago
by Jayaraman Packirisamy, Yogitha Pathuri (Sristi Biosciences)
Chemical diversity of nature demands simpler representations for analysing its chemistry as well as its diversity. Heading our discovery research or natural products research towards Decision Centric Research Intelligence (DCRI) is relatively simple when we establish a knowledge management system that is Markush-enabled. Chemistry research tools need ways to create variations like how nature thinks. Mapping the complex bio-synthetic pathways of secondary metabolites can be made simple with Markush representations. Markush structure allows us to offer requisite variations for representing complex bio-synthetic pathways of nature. This signifies a representative Markush flow both linear as well as lateral. Curation of Markush from published information is simple, when the source offers it directly. However from research context, it is important to recognize individual structures from published sources and group it for Markush representations. We have developed a compound class based grouping of markush structures - Natural Products Markush (NPM) and mapped it against bio-synthetic pathways. NPM as a critical decision-making tool for Screening and Drug Discovery.