Advanced search
Publication Cover
Journal of Biomolecular Structure and Dynamics Volume 39, 2021 - Issue 7
Journal homepage
934
Views
17
CrossRef citations to date
0
Altmetric
Research Articles

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

Aina Hazimah Bahamana Department of Chemistry, Faculty of Science, Universiti Teknologi Malaysia, UTM Johor Bahru, Johor, Malaysia;b Enzyme Technology and Green Synthesis Group, Universiti Teknologi Malaysia, UTM Johor Bahru, Johor, MalaysiaView further author information
,
Roswanira Abdul Wahaba Department of Chemistry, Faculty of Science, Universiti Teknologi Malaysia, UTM Johor Bahru, Johor, Malaysia;b Enzyme Technology and Green Synthesis Group, Universiti Teknologi Malaysia, UTM Johor Bahru, Johor, MalaysiaCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0002-9982-6587View further author information
ORCID Icon,
Azzmer Azzar Abdul Hamidc Department of Biotechnology, Kuliyyah of Science, International Islamic University Malaysia, Kuantan, Malaysia;d Research Unit for Bioinformatics and Computational Biology (RUBIC), Kulliyyah of Science, International Islamic University Malaysia, Pahang, MalaysiaView further author information
,
Khairul Bariyyah Abd Halimc Department of Biotechnology, Kuliyyah of Science, International Islamic University Malaysia, Kuantan, Malaysia;d Research Unit for Bioinformatics and Computational Biology (RUBIC), Kulliyyah of Science, International Islamic University Malaysia, Pahang, MalaysiaView further author information
&
Yilmaz Kayae Department of Agricultural Biotechnology, Faculty of Agriculture, Ondokuz Mayis University, Samsun, Turkey;f Department of Biology, Faculty of Science, Kyrgyz-Turkish Manas University, Bishkek, KyrgyzstanORCID Iconhttps://orcid.org/0000-0003-1506-7913View further author information
ORCID Icon
Pages 2628-2641 | Received 27 Jan 2020, Accepted 30 Mar 2020, Published online: 20 Apr 2020

Citations (17)

Keep up to date with the latest research on this topic with citation updates for this article.

Subscribe to citation updates

Read on this site (6)

Batool Hazim Wahhab, Habeebat Adekilekun Oyewusi, Roswanira Abdul Wahab, Mohammad Hakim Mohammad Hood, Azzmer Azzar Abdul Hamid, Marwan Salih Al-Nimer, Mohamed Faraj Edbeib, Yilmaz Kaya & Fahrul Huyop. (2023) Comparative modeling and enzymatic affinity of novel haloacid dehalogenase from Bacillus megaterium strain BHS1 isolated from alkaline Blue Lake in Turkey. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-14.
Read now
Khor Tze Lin, Naji Arafat Mahat, Aida Rasyidah Azman, Roswanira Abdul Wahab, Habeebat Adekilekun Oyewusi & Azzmer Azzar Abdul Hamid. (2023) Interaction of the nanobio-based reagent with sodium fluorescein and lipids via bioinformatics for forensic fingerprint visualisations. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-8.
Read now
Arif Jamal Siddiqui, Sadaf Jahan, Mitesh Patel, Abdelmushin Abdelgadir, Wael Alturaiki, Fevzi Bardakci, Manojkumar Sachidanandan, Riadh Badraoui, Mejdi Snoussi & Mohd Adnan. (2023) Identifying novel and potent inhibitors of EGFR protein for the drug development against the breast cancer. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-13.
Read now
Garima Singh, Abhay Tiwari, Gourav Choudhir, Hariprasad P, Anuj Kumar & Satyawati Sharma. (2022) Unraveling the potential role of bioactive molecules produced by Trichoderma spp. as inhibitors of tomatinase enzyme having an important role in wilting disease: an in-silico approach. Journal of Biomolecular Structure and Dynamics 40:16, pages 7535-7544.
Read now
Mahboubeh Zarei, Mohammad Reza Rahbar & Manica Negahdaripour. (2022) Interaction of indole-3-acetic acid with horseradish peroxidase as a potential anticancer agent: from docking to molecular dynamics simulation. Journal of Biomolecular Structure and Dynamics 40:9, pages 4188-4196.
Read now
Habeebat Adekilekun Oyewusi, Fahrul Huyop & Roswanira Abdul Wahab. (2022) Molecular docking and molecular dynamics simulation of Bacillus thuringiensis dehalogenase against haloacids, haloacetates and chlorpyrifos. Journal of Biomolecular Structure and Dynamics 40:5, pages 1979-1994.
Read now

Articles from other publishers (11)

Jieting Wu, Jin Lv, Lei Zhao, Ruofan Zhao, Tian Gao, Qi Xu, Dongbo Liu, Qiqi Yu & Fang Ma. (2023) Exploring the role of microbial proteins in controlling environmental pollutants based on molecular simulation. Science of The Total Environment 905, pages 167028.
Crossref
Mohd Adnan, Arif Jamal Siddiqui, Syed Amir Ashraf, Fevzi Bardakci, Mousa Alreshidi, Riadh Badraoui, Emira Noumi, Bektas Tepe, Manojkumar Sachidanandan & Mitesh Patel. (2023) Network Pharmacology, Molecular Docking, and Molecular Dynamics Simulation to Elucidate the Molecular Targets and Potential Mechanism of Phoenix dactylifera (Ajwa Dates) against Candidiasis. Pathogens 12:11, pages 1369.
Crossref
Abd Elmoneim O. Elkhalifa, Humera Banu, Mohammad Idreesh Khan & Syed Amir Ashraf. (2023) Integrated Network Pharmacology, Molecular Docking, Molecular Simulation, and In Vitro Validation Revealed the Bioactive Components in Soy-Fermented Food Products and the Underlying Mechanistic Pathways in Lung Cancer. Nutrients 15:18, pages 3949.
Crossref
Rahul Ranjan, Rohit Rai, Smruti B. Bhatt & Prodyut Dhar. (2023) Technological road map of Cellulase: A comprehensive outlook to structural, computational, and industrial applications. Biochemical Engineering Journal 198, pages 109020.
Crossref
Velaphi C. Thipe, Jorge G.S. Batista, Daniel T. Lebre, Ademar B. Lugão & Kattesh V. Katti. 2023. Fungal Cell Factories for Sustainable Nanomaterials Productions and Agricultural Applications. Fungal Cell Factories for Sustainable Nanomaterials Productions and Agricultural Applications 543 577 .
Farzaneh Samandar, Zeinab Amiri Tehranizadeh, Mohammad Reza Saberi & Jamshidkhan Chamani. (2022) CB1 as a novel target for Ginkgo biloba’s terpene trilactone for controlling chemotherapy-induced peripheral neuropathy (CIPN). Journal of Molecular Modeling 28:9.
Crossref
Yuhao Chu, Chaofan Zhang, Rupeng Wang, Xi Chen, Nanqi Ren & Shih-Hsin Ho. (2022) Biotransformation of sulfamethoxazole by microalgae: Removal efficiency, pathways, and mechanisms. Water Research 221, pages 118834.
Crossref
Baotong Zhu & Na Wei. (2022) Tyrosinase-functionalized polyhydroxyalkanoate bio-beads as a novel biocatalyst for degradation of bisphenol analogues. Environment International 163, pages 107225.
Crossref
Tehsin Fatma, Zeeshan Zafar, Sidra Fatima, Rehan Zafar Paracha, Fazal Adnan, Zeshan, Nasar Virk & Muhammad Faraz Bhatti. (2021) Computational Assessment of Botrytis cinerea Lipase for Biofuel Production. Catalysts 11:11, pages 1319.
Crossref
Ka Kit Lee, Darren Yi Sern Low, Mei Ling Foo, Lih Jiun Yu, Thomas Shean Yaw Choong, Siah Ying Tang & Khang Wei Tan. (2021) Molecular Dynamics Simulation of Nanocellulose-Stabilized Pickering Emulsions. Polymers 13:4, pages 668.
Crossref
Suman Yadav, Anand Kumar Pandey & Suresh Kumar Dubey. (2021) Molecular modeling, docking and simulation dynamics of β-glucosidase reveals high-efficiency, thermo-stable, glucose tolerant enzyme in Paenibacillus lautus BHU3 strain. International Journal of Biological Macromolecules 168, pages 371-382.
Crossref

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Order Reprints Request Corporate Permissions

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

Request Academic Permissions

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.

Related research

People also read lists articles that other readers of this article have read.

Recommended articles lists articles that we recommend and is powered by our AI driven recommendation engine.

Cited by lists all citing articles based on Crossref citations.
Articles with the Crossref icon will open in a new tab.