Investigation of the influence of Candida tropicalis on bioethanol production using sugarcane bagasse: stochastic and in silico analysis.

This study investigated the impact of Candida tropicalis NITCSK13 on sugarcane bagasse (SCB) consolidated bioprocessing (CSB) using various parameters, such as pH, steam explosion (STEX) pretreatment, and temperature (at two different temperatures, cellulose hydrolysis and ethanol fermentation). The backpropagation neural network (BPNN) method simulated the optimal CSB conditions, achieving a maximum ethanol yield of 44 ± 0.32 g/L (0.443 g of ethanol/g of SCB) from STEX pretreated SCB within 48 h at 55 °C for cellulose hydrolysis and 33 °C for ethanol fermentation and pH 3.5. The simulated conditions were experimentally validated and showed an R2 value of 0.998 and absolute average deviation (AAD) of 1.23%. The strain NITCSK13 also exhibited a high ethanol tolerance of 16% (v/v). The interactions between the inhibitors, cellobiose, furfural, and thermocellulase were assessed through molecular docking. The results revealed a maximum inhibitory constant of 3.7 mM for furfural against the endoglucanase (EnG) of Humicola insolens (2ENG) at 50 °C. Acremonium chrysogenum endoglucanase (5M2D) exhibited a maximum of 88.7 µM for cellobiose at 50 °C. The SWISS homology model of EnG from Candida viswanathii exhibited inhibitory effects similar to those of EnG from Thermoascus and Thermotoga, indicating that the moderately thermophilic yeast Candida sp. cellulase may be capable of efficiently tolerating inhibitors and could be a promising candidate for consolidated bioprocessing of cellulosic ethanol.