Literature Review: Computational Methods for Designing Thermostable, Efficient, and Cost-Effective Enzymes for Industrial Applications

Prisca Caesa Moneteringtyas (Industrial Chemical Engineering Technology, Department of Mechanical Engineering, Politeknik Negeri Medan, 20155, Medan, Indonesia)
Nahzim Rahmat (Industrial Chemical Engineering Technology, Department of Mechanical Engineering, Politeknik Negeri Medan, 20155, Medan, Indonesia)
Inten Pangestika (Industrial Chemical Engineering Technology, Department of Mechanical Engineering, Politeknik Negeri Medan, 20155, Medan, Indonesia)
Sri Rahayu Widya Ningrum (Study Program of Industrial Chemical Engineering, Politeknik Negeri Lampung, 35144, , Bandar Lampung, Indonesia)
Annisa Fillaeli (Department of Chemistry Education, Faculty of Mathematics and Natural Sciences, Universitas Negeri Yogyakarta, Indonesia, Jl. Colombo 1, Yogyakarta 55281, Indonesia)
Aliyah Aliyah (Department of Chemical Science and Engineering, Graduate School of Engineering, Kobe Univesity, 1-1 Rokkodai-cho, Nada-Ku, Kobe, Hyogo, 657-8501,Japan)

Sustainable in Energy Science and Technology
Vol. 1 No. 1 (2025): Sustainable in Energy and Science Technology

Enzymes play a vital role as biocatalysts in various industrial applications due to their high specificity and efficiency under mild conditions. However, their limited thermostability significantly constrains their operational lifespan and effectiveness at elevated temperatures. This review examines recent advancements in computational methods aimed at enhancing enzyme thermostability, focusing on structure-based rational design, machine learning, and hybrid approaches. Key findings highlight the effectiveness of structure-based methods, in optimizing enzyme structures, while machine learning approaches demonstrated potential in predicting stabilizing mutations. This review identifies key research gaps and proposes directions for future studies to facilitate the industrial adoption of thermostable enzymes.