Abstract
The demand for ecofriendly green catalysts for biofuel synthesis is greatly increasing with the effects of fossil fuel depletion. Fungal lipases are abundantly used as biocatalysts for the synthesis of biofuel. The use of Botrytis cinerea lipase is an excellent approach for the conversion of agroindustrial residues into biofuel. In this study, phylogenetic analyses were carried out and the physicochemical properties of B. cinerea lipase were assessed. Furthermore, the protein structure of B. cinerea lipase was predicted and refined. Putative energy-rich phytolipid compounds were explored as a substrate for the synthesis of biofuel, owing to B. cinerea lipase catalysis. Approximately 161 plant-based fatty acids were docked with B. cinerea lipase in order to evaluate their binding affinities and interactions. Among the docked fatty acids, the top ten triglycerides having the lowest number of binding affinities with B. cinerea lipase were selected, and their interactions were assessed. The top three triglycerides having the greatest number of hydrogen bonds and hydrophobic interactions were selected for simulations of 20 ns. The docking and simulations revealed that docosahexaenoic acid, dicranin, and hexadeca-7,10,13-trienoic acid had stable bonding with the B. cinerea lipase. Therefore, B. cinerea lipase has the potential to be used for the transesterification of fatty acids into biofuels, whereas docosahexaenoic acid, dicranin, and hexadeca-7,10,13-trienoic acid can be used as substrates of B. cinerea lipase for biofuel synthesis.
Highlights
Fossil fuels are unable to deal with the increasing demand for energy, as they are nonrenewable [1,2,3]
This study provides novel insights into Botrytis cinerea lipases, and identifies the plant-derived fatty acids best suitable for biofuel production using B. cinerea
Current research reveals that plant triglycerides, such as dicranin, docosahexaenoic acid, and hexadeca-7,10,13-trienoic acid, were potent feedstock for B. cinerea-lipase-mediated biofuel production
Summary
Fossil fuels are unable to deal with the increasing demand for energy, as they are nonrenewable [1,2,3]. Biofuels are preferred over conventional fuels because of their nontoxic, biodegradable, and renewable natures. Biofuel synthesis is the best alternative for coping with fossil fuel consumption. Biofuel global production was increased by 10 billion liters in 2018, compared to 2017, to meet a record of 154 billion liters [4]. A twenty-five percent increase in biofuel production is forecasted by the year 2024, due to the better growth statuses of biofuel-producing countries, including Brazil, the United States, and, especially, China [5]. Brazil has the prominent agricultural backbone to convert agroindustrial waste into renewable energy products [6]. Biobased residues, including fats and oils, are most frequently used for the synthesis of biofuels
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