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Catabolic profiling of selective enzymes in the saccharification of non-food lignocellulose parts of biomass into functional edible sugars and bioenergy: An in silico bioprospecting
2022
Parag Kumar Paul (Department of Electrical and Electronic Engineering, United International University, Dhaka, Bangladesh) | Salauddin Al Azad (Fermentation Engineering Major, School of Biotechnology, Jiangnan University, Wuxi, China) | Mohammad Habibur Rahman (Vaccinology Lab, Department of Microbiology and Hygiene, Faculty of Veterinary Science, Bangladesh Agricultural University, Mymensingh 2202, Bangladesh) | Mithila Farjana (Department of Chemistry and Biochemistry, University of Oklahoma, Norman, OK, USA) | Muhammad Ramiz Uddin (Department of Chemistry and Biochemistry, University of Oklahoma, Norman, OK, USA) | Dipta Dey (Department of Biochemistry and Molecular Biology, Bangabandhu Sheikh Mujibur Rahman Science and Technology University, Gopalganj, Bangladesh) | Shafi Mahmud (Department of Genetic Engineering and Biotechnology, University of Rajshahi, Rajshahi, Bangladesh) | Tanzila Ismail Ema (Department of Biochemistry and Microbiology, North South University, Dhaka, Bangladesh) | Partha Biswas (Department of Genetic Engineering and Biotechnology, Jashore University of Science and Technology, Jashore, Bangladesh) | Maliha Anjum (Department of Genetic Engineering and Biotechnology, Jashore University of Science and Technology, Jashore, Bangladesh) | Ozifatun Jannat Akhi (Department of Computer Science and Engineering, Mymensingh Engineering College, Mymensingh, Bangladesh) | Shahlaa Zernaz Ahmed (Department of Biochemistry and Microbiology, North South University, Dhaka, Bangladesh.)
Objectives: The research aims to analyze the catabolic strength of different hydrolytic enzymes in assessing the biological conversion potential of lignocellulose parts of agricultural biomass wastes into functional edible sugars and biofuels. Materials and Methods: The enzymes' hydrolytic properties—versatile peroxidase, manganese peroxidase, and lignin peroxidase were used to identify their complexing strength with the lignin substrate, whereas endoglucanase cel12A, acidocaldarius cellulase, and Melanocarpus albomyces endoglucanase were tested on the cellulose gel substrate. Because the biodegradation properties are heavily influenced by the "enzyme-substrate complexing energy level," proper molecular optimization and energy minimization of the enzymes and substrates were carried out, as well as the identification of the enzyme's active sites prior to complexing. comprehensive molecular dynamic simulation was run to study their—alpha carbon, root-mean-square deviation (Å), molecular surface area (Å2), root-mean-square fluctuation (Å), radius of gyration (nm), hydrogen bonds with hydrophobic interactions, and solvent accessible surface area (Å2) values for 50 ns. The simulated data mining was conducted using advanced programming algorithms to establish the final enzyme-substrate complexing strength in binding and catalysis. Results: Among the lignin-degrading enzymes, versatile peroxidase shows promising catalytic activity with the best docking pose and significant values in all the dynamic simulation parameters. Similarly, Melanocarpus albomyces endoglucanase shows the best activity in all aspects of molecular docking and dynamics among the cellulose-degrading enzymes. Conclusion: The lignin content of biomass wastes can be degraded into cellulose and hemicellulose using lignin-degrading enzymes. The cellulose can be further degraded into glucose and xylose sugars following the cellulose-degrading enzyme activity. These sugars can be further degraded into biofuel through anaerobic fermentation. Systematic bioconversion of the lignocellulosic components can ensure sustainable biomass management, creating an alternative food and energy source for human beings to face the challenges of global hunger where the enzymes can pave the way. [J Adv Vet Anim Res 2022; 9(1.000): 19-32]
اظهر المزيد [+] اقل [-]Catabolic profiling of selective enzymes in the saccharification of non-food lignocellulose parts of biomass into functional edible sugars and bioenergy: An in silico bioprospecting
2022
Parag Kumar Paul | Salauddin Al Azad | Mohammad Habibur Rahman | Mithila Farjana | Muhammad Ramiz Uddin | Dipta Dey | Shafi Mahmud | Tanzila Ismail Ema | Partha Biswas | Maliha Anjum | Ozifatun Jannat Akhi | Shahlaa Zernaz Ahmed
Objectives: The research aims to analyze the catabolic strength of different hydrolytic enzymes in assessing the biological conversion potential of lignocellulose parts of agricultural biomass wastes into functional edible sugars and biofuels. Materials and Methods: The enzymes' hydrolytic properties—versatile peroxidase, manganese peroxidase, and lignin peroxidase were used to identify their complexing strength with the lignin substrate, whereas endoglucanase cel12A, acidocaldarius cellulase, and Melanocarpus albomyces endoglucanase were tested on the cellulose gel substrate. Because the biodegradation properties are heavily influenced by the "enzyme-substrate complexing energy level," proper molecular optimization and energy minimization of the enzymes and substrates were carried out, as well as the identification of the enzyme's active sites prior to complexing. comprehensive molecular dynamic simulation was run to study their—alpha carbon, root-mean-square deviation (Å), molecular surface area (Å2), root-mean-square fluctuation (Å), radius of gyration (nm), hydrogen bonds with hydrophobic interactions, and solvent accessible surface area (Å2) values for 50 ns. The simulated data mining was conducted using advanced programming algorithms to establish the final enzyme-substrate complexing strength in binding and catalysis. Results: Among the lignin-degrading enzymes, versatile peroxidase shows promising catalytic activity with the best docking pose and significant values in all the dynamic simulation parameters. Similarly, Melanocarpus albomyces endoglucanase shows the best activity in all aspects of molecular docking and dynamics among the cellulose-degrading enzymes. Conclusion: The lignin content of biomass wastes can be degraded into cellulose and hemicellulose using lignin-degrading enzymes. The cellulose can be further degraded into glucose and xylose sugars following the cellulose-degrading enzyme activity. These sugars can be further degraded into biofuel through anaerobic fermentation. Systematic bioconversion of the lignocellulosic components can ensure sustainable biomass management, creating an alternative food and energy source for human beings to face the challenges of global hunger where the enzymes can pave the way. [J Adv Vet Anim Res 2022; 9(1.000): 19-32]
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