Litcius/Paper detail

Using Bibliometric Analysis and Machine Learning to Identify Compounds Binding to Sialidase-1

Jennifer J. Klein, Nancy Baker, Daniel H. Foil, Kimberley M. Zorn, Fabio Urbina, Ana C. Puhl, Sean Ekins

2021ACS Omega15 citationsDOIOpen Access PDF

Abstract

8.88 ± 4.02 μM), which validated our approach to identifying new molecules binding to this protein, which could represent possible drug candidates that can be evaluated further as potential chaperones for this ultrarare lysosomal disease for which there is currently no treatment. Combining bibliometric and machine learning approaches has the ability to assist in curating small molecule data and model building, respectively, for rare disease drug discovery. This approach also has the capability to identify new compounds that are potential drug candidates.

Topics & Concepts

SialidaseComputer scienceChemistryComputational biologyMachine learningArtificial intelligenceBiochemistryBiologyNeuraminidaseEnzymeGlycosylation and Glycoproteins ResearchLysosomal Storage Disorders ResearchStudies on Chitinases and Chitosanases