Identification of flux checkpoints in a metabolic pathway through white-box, grey-box and black-box modeling approaches.

ABSTRACT: Metabolic pathway modeling plays an increasing role in drug design by allowing better understanding of the underlying regulation and controlling networks in the metabolism of living organisms. However, despite rapid progress in this area, pathway modeling can become a real nightmare for researchers, notably when few experimental data are available or when the pathway is highly complex. Here, three different approaches were developed to model the second part of glycolysis of E. histolytica as an application example, and have succeeded in predicting the final pathway flux: one including detailed kinetic information (white-box), another with an added adjustment term (grey-box) and the last one using an artificial neural network method (black-box). Afterwards, each model was used for metabolic

SUBMITTER: Lo-Thong O 

PROVIDER: S-EPMC7417601 | biostudies-literature | 2020 Aug

REPOSITORIES: biostudies-literature