In silico co-factor balance estimation using constraint-based modelling informs metabolic engineering in Escherichia coli
Fig 5
CBA-derived co-factor usage profiles after manual curation of the models and comparison between CBA-derived estimates and estimates calculated using the method developed by Dugar et al.
The engineered models were manually constrained to minimize high-flux ATP futile cycles as described in the text, and led to the above (A) curated ATP and NAD(P)H CBA profiles under aerobic conditions and (B) ATP and NAD(P)H CBA profiles under anaerobic conditions. (C) Comparison of bioproduction carbon yields determined using the calculations developed by Dugar et al and FBA. uDugar–unadjusted Dugar-derived estimates; uFBA–unconstrained FBA (preliminary FBA results prior to applying any constraints); aDugar–Dugar-derived estimates after adjusting values according to ATP and NAD(P)H imbalances; cFBA–curated FBA yield estimates, obtained after manually constraining the flux distributions.