Developments in molecular docking technologies for application of polysaccharide-based materials: A review

With the increasing pollution of the planet, the search for natural multifunctional alternatives to petroleum-based plastics has assumed to be a great important proposition. Polysaccharides, an inexhaustible natural resource with good biocompatibility as well as mechanical properties, are considered...

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Published inCritical reviews in food science and nutrition Vol. 64; no. 24; pp. 8540 - 8552
Main Authors Lin, Ruikang, Zhang, Jihui, Xu, Ruoxuan, Yuan, Chao, Guo, Li, Liu, Pengfei, Fang, Yishan, Cui, Bo
Format Journal Article
LanguageEnglish
Published United States Taylor & Francis 20.09.2024
Taylor & Francis Ltd
Subjects
Biocompatibility
Biocompatible Materials - chemistry
Conformation
Drug development
functional foods
intermolecular interactions
Mechanical properties
Molecular docking
Molecular Docking Simulation
Molecular structure
Natural resources
Petroleum
Polysaccharide-based materials
Polysaccharides
Polysaccharides - chemistry
Raw materials
Reagents
Saccharides
Software
Technology assessment
functional foods
intermolecular interactions
molecular docking
Polysaccharide-based materials
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Summary:With the increasing pollution of the planet, the search for natural multifunctional alternatives to petroleum-based plastics has assumed to be a great important proposition. Polysaccharides, an inexhaustible natural resource with good biocompatibility as well as mechanical properties, are considered as an ideal alternative to petroleum-based materials. However, blind experimentation and development will inevitably lead to waste of raw materials and contamination of reagents. Therefore, researchers desire a technology which can assist in predicting and screening experimental materials at the higher level. Molecular docking simulations, an emerging computer technology that can effectively predict the structure of interactions between molecules and analyze the optimal conformation, are a common aid for materials and drug design. In this review, we describe the origins and development of molecular docking techniques, mainly performed an overview of various molecular docking software on their applications in the field of different polysaccharide materials.
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content type line 23
ISSN:1040-8398
1549-7852
1549-7852
DOI:10.1080/10408398.2023.2200833