Molecular docking and molecular dynamics simulations studies on β-glucosidase and xylanase Trichoderma asperellum to predict degradation order of cellulosic components in oil palm leaves for nanocellulose preparation

• Main Authors: Bahaman, Aina Hazimah, Abdul Wahab, Roswanira, Abdul Hamid, Azzmer Azzar, Abd Halim, Khairul Bariyyah, Kaya, Yilmaz
• Format: Article
• Language: English; English
• Published: Taylor Francis 2020
• Subjects: QD Chemistry; S Agriculture (General)
• Online Access: http://irep.iium.edu.my/84066/1/84066_Molecular%20docking%20and%20molecular%20dynamics_in%20press.pdf; http://irep.iium.edu.my/84066/13/84066_Molecular%20docking%20and%20molecular%20dynamics_Scopus.pdf; http://irep.iium.edu.my/84066/; https://www-tandfonline-com.ezproxy.um.edu.my/doi/full/10.1080/07391102.2020.1751713

Literature has shown that oil palm leaves (OPL) can be transformed into nanocellulose (NC) by fungal lignocellulosic enzymes, particularly those produced by the Trichoderma species. However, mechanism of b-glucosidase and xylanase selectivity to degrade lignin, hemicellulose and cellulose in OPL for...