MetaPath Platform: Introducing kinetic data
The MetaPath platform introduces the newly added data layer, kinetic data, focusing on the storage and management of documented metabolism. This layer funded by Unilever provides crucial information on metabolic transformations, including values like half-life, Km, Vmax, and clearance, as well as time series data. The platform showcases the association between kinetic data and other existing data layers, enhancing user interaction and search capabilities.
Download Presentation
Please find below an Image/Link to download the presentation.
The content on the website is provided AS IS for your information and personal use only. It may not be sold, licensed, or shared on other websites without obtaining consent from the author.If you encounter any issues during the download, it is possible that the publisher has removed the file from their server.
You are allowed to download the files provided on this website for personal or commercial use, subject to the condition that they are used lawfully. All files are the property of their respective owners.
The content on the website is provided AS IS for your information and personal use only. It may not be sold, licensed, or shared on other websites without obtaining consent from the author.
E N D
Presentation Transcript
MetaPath Platform: Introducing kinetic data Laboratory of Mathematical Chemistry University Prof. As. Zlatarov Bourgas, Bulgaria June, 2022
Outlook 1. Types of data previously stored in MetaPath platform 2. The newly added data layer kinetic data a. Information included in the kinetic data layer b. Association between kinetic data and other data layers 3. User interface 4. Searching kinetic data 2
Outlook 1. Types of data previously stored in MetaPath platform 2. The newly added data layer kinetic data a. Information included in the kinetic data layer b. Association between kinetic data and other data layers 3. User interface 4. Searching kinetic data 3
MetaPath platform Storage and management of documented metabolism Types of data (layers) previously stored in MetaPath 1. Chemicals data (chemicals layer) - chemical structure, chemical names, regulatory identifiers 2. Transformations data (transformations layer) pairs parent/metabolite, enzymes (if any), hierarchy of observed transformations organized in metabolic trees 3. Experimental details (experiments layer) study specifics such as treated species, experimental systems, organs/tissues, doses, etc. 4. Associations (associations layer) shows differences in metabolism due to study variations between transformations/metabolites and experimental details 4
Outlook 1. Types of data previously stored in MetaPath platform 2. The newly added data layer kinetic data a. Information included in the kinetic data layer b. Association between kinetic data and other data layers 3. User interface 4. Searching kinetic data 5
MetaPath platform Storage and management of documented metabolism The newly added data layer kinetic data 1. Development funded by Unilever, remained in private domain for several years 2. EFSAfunded migration from private to public domain The version is ready, waits for approval from EFSA 3. Kinetic data provide information about the kinetics of the metabolic transformations 4. The layer includes values (half-life, Km, Vmax, clearance) and/or time series (parent / metabolite quantity as a function of time) 5. There are two possible sets of values/time series: in vitro half-life, Km, Vmax, clearance, protein content, activity rate in vivo half-life, area under curve (AUC),AUC time, clearance 6
Outlook 1. Types of data previously stored in MetaPath platform 2. The newly added data layer kinetic data a. Information included in the kinetic data layer b. Association between kinetic data and other data layers 3. User interface 4. Searching kinetic data 7
MetaPath platform Storage and management of documented metabolism The kinetic data and other data layers 1. Kinetic data is associated with the chemical (parent / metabolite) 2. Kinetic data is also associated with the experimental conditions (treatment groups) in vivo/in vitro, dose, experimental system, etc. Any set of kinetic data must be associated with a combination metabolite + treatment group 8
Outlook 1. Types of data previously stored in MetaPath platform 2. The new data layer kinetic data a. Information included in the kinetic data layer b. Association between kinetic data and other data layers 3. User interface 4. Searching kinetic data 9
MetaPath platform Storage and management of documented metabolism The kinetic data on the user interface (example #1) 1. Kinetic values associated with metabolite + treatment group Treatment group Kinetic values 10
MetaPath platform Storage and management of documented metabolism The kinetic data on the user interface (example #2) 1. Time serie associated with metabolite + treatment group Treatment group Time serie 11
Outlook 1. Types of data previously stored in MetaPath platform 2. The newly added data layer kinetic data a. Information included in the kinetic data layer b. Association between kinetic data and other data layers 3. User interface 4. Searching kinetic data 12
MetaPath platform Storage and management of documented metabolism Searches based on kinetic data 1. Searches for metabolites meeting kinetic data criteria 2. Experimental details can be used as additional filter Search criteria based on kinetic data Additional filter based on experimental details 13
