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 in | Critical reviews in food science and nutrition Vol. 64; no. 24; pp. 8540 - 8552 |
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| Main Authors | , , , , , , , |
| Format | Journal Article |
| Language | English |
| Published |
United States
Taylor & Francis
20.09.2024
Taylor & Francis Ltd |
| Subjects | |
| Online Access | Get full text |
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| Abstract | 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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| AbstractList | 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. 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.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. |
| Author | Guo, Li Fang, Yishan Lin, Ruikang Xu, Ruoxuan Yuan, Chao Cui, Bo Liu, Pengfei Zhang, Jihui |
| Author_xml | – sequence: 1 givenname: Ruikang surname: Lin fullname: Lin, Ruikang organization: School of Food Science and Engineering, State Key Laboratory of Biobased Material and Green Papermaking, School of Materials Science and Engineering, Qilu University of Technology, Shandong Academy of Sciences – sequence: 2 givenname: Jihui surname: Zhang fullname: Zhang, Jihui organization: School of Food Science and Engineering, State Key Laboratory of Biobased Material and Green Papermaking, School of Materials Science and Engineering, Qilu University of Technology, Shandong Academy of Sciences – sequence: 3 givenname: Ruoxuan surname: Xu fullname: Xu, Ruoxuan organization: School of Food Science and Engineering, State Key Laboratory of Biobased Material and Green Papermaking, School of Materials Science and Engineering, Qilu University of Technology, Shandong Academy of Sciences – sequence: 4 givenname: Chao surname: Yuan fullname: Yuan, Chao organization: School of Food Science and Engineering, State Key Laboratory of Biobased Material and Green Papermaking, School of Materials Science and Engineering, Qilu University of Technology, Shandong Academy of Sciences – sequence: 5 givenname: Li surname: Guo fullname: Guo, Li organization: School of Food Science and Engineering, State Key Laboratory of Biobased Material and Green Papermaking, School of Materials Science and Engineering, Qilu University of Technology, Shandong Academy of Sciences – sequence: 6 givenname: Pengfei surname: Liu fullname: Liu, Pengfei organization: School of Food Science and Engineering, State Key Laboratory of Biobased Material and Green Papermaking, School of Materials Science and Engineering, Qilu University of Technology, Shandong Academy of Sciences – sequence: 7 givenname: Yishan surname: Fang fullname: Fang, Yishan organization: School of Food Science and Engineering, State Key Laboratory of Biobased Material and Green Papermaking, School of Materials Science and Engineering, Qilu University of Technology, Shandong Academy of Sciences – sequence: 8 givenname: Bo surname: Cui fullname: Cui, Bo organization: School of Food Science and Engineering, State Key Laboratory of Biobased Material and Green Papermaking, School of Materials Science and Engineering, Qilu University of Technology, Shandong Academy of Sciences |
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| Keywords | functional foods intermolecular interactions molecular docking Polysaccharide-based materials |
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| Title | Developments in molecular docking technologies for application of polysaccharide-based materials: A review |
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