Antifreeze protein(AFP)can inhibit the growth of ice crystals to protect organisms from freezing damage,and demonstrates broad application prospects in food industry.Antifreeze peptides(AFPP)are specifi c peptides wit...Antifreeze protein(AFP)can inhibit the growth of ice crystals to protect organisms from freezing damage,and demonstrates broad application prospects in food industry.Antifreeze peptides(AFPP)are specifi c peptides with functional domains showing antifreeze activity in AFP.Bioinformatics-based molecular simulation technology can more accurately explain the properties and mechanisms of biological macromolecules.Therefore,the binding stability of antifreeze peptides and antifreeze proteins(AFP(P))to ice and the molecular-scale growth kinetics of ice were analyzed by molecular simulation,which can make up for the limitations of experimental technology.This review concludes the molecular simulation-based research in the inhibition’s study of AFP(P)on ice growth,including sequence prediction,structure construction,molecular docking and molecular dynamics(MD)studies of AFP(P)on ice applications in growth inhibition.Finally,the review prospects the future direction of designing new antifreeze biomimetic materials through molecular simulation and machine learning.The information presented in this paper will help enrich our understanding of AFPP.展开更多
The development of effective antifreeze peptides to control ice growth has attracted a significant amount of attention yet still remains a great challenge.Here,we propose a novel design method based on in-depth invest...The development of effective antifreeze peptides to control ice growth has attracted a significant amount of attention yet still remains a great challenge.Here,we propose a novel design method based on in-depth investigation of repetitive motifs in various ice-binding proteins(IBPs)with evolution analysis.In this way,several peptides with notable antifreeze activity were developed.In particular,a designed antifreeze peptide named AVD exhibits ideal ice recrystallization inhibition(IRI),solubility,and biocompatibility,making it suitable for use as a cryoprotective agent(CPA).A mutation analysis and molecular dynamics(MD)simulations indicated that the Thr6 and Asn8 residues of the AVD peptide are fundamental to its ice-binding capacity,while the Ser18 residue can synergistically enhance their interaction with ice,revealing the antifreeze mechanism of AVD.Furthermore,to evaluate the cryoprotection potential of AVD,the peptide was successfully employed for the cryopreservation of various cells,which demonstrated significant post-freezing cell recovery.This work opens up a new avenue for designing antifreeze materials and provides peptide-based functional modules for synthetic biology.展开更多
基金This work was supported by Natural Science Foundation of China(U1905202)Fujian Major Project of Provincial Science&Technology Hall of China(2020NZ010008)Xiamen Ocean and Fishery Development Special Fund Project(21CZP006HJ04).
文摘Antifreeze protein(AFP)can inhibit the growth of ice crystals to protect organisms from freezing damage,and demonstrates broad application prospects in food industry.Antifreeze peptides(AFPP)are specifi c peptides with functional domains showing antifreeze activity in AFP.Bioinformatics-based molecular simulation technology can more accurately explain the properties and mechanisms of biological macromolecules.Therefore,the binding stability of antifreeze peptides and antifreeze proteins(AFP(P))to ice and the molecular-scale growth kinetics of ice were analyzed by molecular simulation,which can make up for the limitations of experimental technology.This review concludes the molecular simulation-based research in the inhibition’s study of AFP(P)on ice growth,including sequence prediction,structure construction,molecular docking and molecular dynamics(MD)studies of AFP(P)on ice applications in growth inhibition.Finally,the review prospects the future direction of designing new antifreeze biomimetic materials through molecular simulation and machine learning.The information presented in this paper will help enrich our understanding of AFPP.
基金supported by the National Key Research and Development Program of China (2021YFC2100800)the National Natural Science Foundation of China (22078238,21961132005,and 21908160)+1 种基金the Open Funding Project of the National Key Laboratory of Biochemical Engineeringthe Program of Introducing Talents of Discipline to Universities (BP0618007)。
文摘The development of effective antifreeze peptides to control ice growth has attracted a significant amount of attention yet still remains a great challenge.Here,we propose a novel design method based on in-depth investigation of repetitive motifs in various ice-binding proteins(IBPs)with evolution analysis.In this way,several peptides with notable antifreeze activity were developed.In particular,a designed antifreeze peptide named AVD exhibits ideal ice recrystallization inhibition(IRI),solubility,and biocompatibility,making it suitable for use as a cryoprotective agent(CPA).A mutation analysis and molecular dynamics(MD)simulations indicated that the Thr6 and Asn8 residues of the AVD peptide are fundamental to its ice-binding capacity,while the Ser18 residue can synergistically enhance their interaction with ice,revealing the antifreeze mechanism of AVD.Furthermore,to evaluate the cryoprotection potential of AVD,the peptide was successfully employed for the cryopreservation of various cells,which demonstrated significant post-freezing cell recovery.This work opens up a new avenue for designing antifreeze materials and provides peptide-based functional modules for synthetic biology.
