Identification of plant-based hexokinase 2 inhibitors: combined molecular docking and dynamics simulation studies-Reference-Cited by-同舟云学术

Identification of plant-based hexokinase 2 inhibitors: combined molecular docking and dynamics simulation studies

Published:2021-06-28 Issue: Volume: Page:1-13
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Khan Asifa¹,Mohammad Taj²^ORCID,Shamsi Anas²,Hussain Afzal³,Alajmi Mohamed F.³,Husain Syed Akhtar¹,Iqbal Mohammad Askandar⁴,Hassan Md. Imtaiyaz²^ORCID

Affiliation:

1. Department of Biosciences, Jamia Millia Islamia, New Delhi, India

2. Centre for Interdisciplinary Research in Basic Sciences, Jamia Millia Islamia, New Delhi, India

3. Department of Pharmacognosy, College of Pharmacy, King Saud University, Riyadh, Saudi Arabia

4. Department of Biotechnology, Jamia Millia Islamia, New Delhi, India

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2021.1942217

Reference68 articles.

1. GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

2. Construction of the free energy landscape of biomolecules via dihedral angle principal component analysis

3. Essential dynamics of proteins

4. Hexokinase 2 promotes tumor growth and metastasis by regulating lactate production in pancreatic cancer

5. Rosmarinic Acid Exhibits Anticancer Effects via MARK4 Inhibition

Cited by 36 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Enriching Anticancer Drug Pipeline with Potential Inhibitors of Cyclin-Dependent Kinase-8 Identified from Natural Products;OMICS: A Journal of Integrative Biology;2024-09-01

2. On surface binding of serum albumin by harmane: An in vitro spectroscopic and theoretical analysis;Journal of Molecular Liquids;2024-09

3. Potential dual inhibitors of Hexokinases and mitochondrial complex I discovered through machine learning approach;Scientific African;2024-06

4. Identifying potential inhibitors of phosphatidylinositol 4,5-bisphosphate 3-kinase: Molecular dynamic insights into the interaction and inhibitory mechanism;Chemical Physics Impact;2024-06

5. Identification of bioactive natural products as potential inhibitors of cyclin-dependent kinase-8: A virtual screening study for anticancer therapeutics;2024-04-08