Effect of Chitosan Deacetylation on Its Affinity to Type III Collagen: A Molecular Dynamics Study
Abstract
:1. Introduction
2. Methods
2.1. Binding Energy Computation
2.2. Hydrogen Bonding Definition
2.3. Hydrophobic Interactions
2.4. Ionic Interactions
3. Results and Discussion
4. Conclusions
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Acknowledgments
Conflicts of Interest
References
- Shen, Y.; Levin, A.; Kamada, A.; Toprakcioglu, Z.; Rodriguez-Garcia, M.; Xu, Y.; Knowles, T.P.J. From Protein Building Blocks to Functional Materials. ACS Nano 2021, 15, 5819–5837. [Google Scholar] [CrossRef] [PubMed]
- Madhavi, W.A.M.; Weerasinghe, S.; Fullerton, G.D.; Momot, K.I. Structure and Dynamics of Collagen Hydration Water from Molecular Dynamics Simulations: Implications of Temperature and Pressure. J. Phys. Chem. B 2019, 123, 4901–4914. [Google Scholar] [CrossRef]
- Li, L.; Yu, F.; Zheng, L.; Wang, R.; Yan, W.; Wang, Z.; Xu, J.; Wu, J.; Shi, D.; Zhu, L.; et al. Natural hydrogels for cartilage regeneration: Modification, preparation and application. J. Orthop. Transl. 2019, 17, 26–41. [Google Scholar] [CrossRef]
- Glowacki, J.; Mizuno, S. Collagen scaffolds for tissue engineering. Biopolymers 2008, 89, 338–344. [Google Scholar] [CrossRef] [PubMed]
- Chen, F.M.; Liu, X. Advancing biomaterials of human origin for tissue engineering. Prog. Polym. Sci. 2016, 53, 86–168. [Google Scholar] [CrossRef] [PubMed] [Green Version]
- Lim, Y.S.; Ok, Y.J.; Hwang, S.Y.; Kwak, J.Y.; Yoon, S. Marine collagen as a promising biomaterial for biomedical applications. Mar. Drugs 2019, 17, 467. [Google Scholar] [CrossRef] [Green Version]
- Chocholata, P.; Kulda, V.; Babuska, V. Fabrication of scaffolds for bone-tissue regeneration. Materials 2019, 12, 568. [Google Scholar] [CrossRef] [Green Version]
- Sionkowska, A.; Adamiak, K.; Musial, K.; Gadomska, M. Collagen based materials in cosmetic applications: A review. Materials 2020, 13, 4217. [Google Scholar] [CrossRef]
- Kaczmarek, B.; Lewandowska, K.; Sionkowska, A. Modification of collagen properties with ferulic acid. Materials 2020, 13, 3419. [Google Scholar] [CrossRef]
- Sionkowska, A. Collagen blended with natural polymers: Recent advances and trends. Prog. Polym. Sci. 2021, 122, 101452. [Google Scholar] [CrossRef]
- Strauss, G.; Gibson, S.M. Plant phenolics as cross-linkers of gelatin gels and gelatin-based coacervates for use as food ingredients. Food Hydrocoll. 2004, 18, 81–89. [Google Scholar] [CrossRef]
- Wu, L.; Shao, H.; Fang, Z.; Zhao, Y.; Cao, C.Y.; Li, Q. Mechanism and Effects of Polyphenol Derivatives for Modifying Collagen. ACS Biomater. Sci. Eng. 2019, 5, 4272–4284. [Google Scholar] [CrossRef]
- Madhan, B.; Subramanian, V.; Rao, J.R.; Nair, B.U.; Ramasami, T. Stabilization of collagen using plant polyphenol: Role of catechin. Int. J. Biol. Macromol. 2005, 37, 47–53. [Google Scholar] [CrossRef]
- Bhattarai, G.; Poudel, S.; Kim, M.; Sim, H.; So, H.; Kook, S.; Lee, J. Polyphenols and recombinant protein activated collagen scaffold enhance angiogenesis and bone regeneration in rat critical-sized mandible defect. Cytotherapy 2019, 21, e8–e9. [Google Scholar] [CrossRef]
- Walczak, M.; Michalska-Sionkowska, M.; Kaczmarek, B.; Sionkowska, A. Surface and antibacterial properties of thin films based on collagen and thymol. Mater. Today Commun. 2020, 22, 100949. [Google Scholar] [CrossRef]
- Li, H.; Qi, Z.; Zheng, S.; Chang, Y.; Kong, W.; Fu, C.; Yu, Z.; Yang, X.; Pan, S. The Application of Hyaluronic Acid-Based Hydrogels in Bone and Cartilage Tissue Engineering. Adv. Mater. Sci. Eng. 2019, 2019, 3027303. [Google Scholar] [CrossRef] [Green Version]
- Zhang, Y.; Cao, Y.; Zhao, H.; Zhang, L.; Ni, T.; Liu, Y.; An, Z.; Liu, M.; Pei, R. An injectable BMSC-laden enzyme-catalyzed crosslinking collagen-hyaluronic acid hydrogel for cartilage repair and regeneration. J. Mater. Chem. B 2020, 8, 4237–4244. [Google Scholar] [CrossRef] [PubMed]
- Saha, N.; Saarai, A.; Roy, N.; Kitano, T.; Saha, P. Polymeric Biomaterial Based Hydrogels for Biomedical Applications. J. Biomater. Nanobiotechnol. 2011, 02, 85–90. [Google Scholar] [CrossRef] [Green Version]
- Kaczmarek-Szczepańska, B.; Mazur, O.; Michalska-Sionkowska, M.; Łukowicz, K.; Osyczka, A.M. The preparation and characterization of chitosan-based hydrogels cross-linked by glyoxal. Materials 2021, 14, 2449. [Google Scholar] [CrossRef]
- Lewandowska, K.; Sionkowska, A.; Grabska, S.; Kaczmarek, B.; Michalska, M. The miscibility of collagen/hyaluronic acid/chitosan blends investigated in dilute solutions and solids. J. Mol. Liq. 2016, 220, 726–730. [Google Scholar] [CrossRef]
- Zakhem, E.; Bitar, K. Development of Chitosan Scaffolds with Enhanced Mechanical Properties for Intestinal Tissue Engineering Applications. J. Funct. Biomater. 2015, 6, 999–1011. [Google Scholar] [CrossRef] [PubMed] [Green Version]
- Martínez, A.; Blanco, M.D.; Davidenko, N.; Cameron, R.E. Tailoring chitosan/collagen scaffolds for tissue engineering: Effect of composition and different crosslinking agents on scaffold properties. Carbohydr. Polym. 2015, 132, 606–619. [Google Scholar] [CrossRef] [PubMed] [Green Version]
- Han, C.M.; Zhang, L.P.; Sun, J.Z.; Shi, H.F.; Zhou, J.; Gao, C.Y. Application of collagen-chitosan/fibrin glue asymmetric scaffolds in skin tissue engineering. J. Zhejiang Univ. Sci. B 2010, 11, 524–530. [Google Scholar] [CrossRef] [PubMed]
- Sionkowska, A.; Walczak, M.; Michalska-Sionkowska, M. Preparation and characterization of collagen/chitosan composites with silver nanoparticles. Polym. Compos. 2020, 41, 951–957. [Google Scholar] [CrossRef]
- Sionkowska, A.; Tuwalska, A. Preparation and characterization of new materials based on silk fibroin, chitosan and nanohydroxyapatite. Int. J. Polym. Anal. Charact. 2020, 25, 315–333. [Google Scholar] [CrossRef]
- Grabska-Zielińska, S.; Sionkowska, A.; Coelho, C.C.; Monteiro, F.J. Silk fibroin/collagen/chitosan scaffolds cross-linked by a glyoxal solution as biomaterials toward bone tissue regeneration. Materials 2020, 13, 3433. [Google Scholar] [CrossRef]
- Grabska-Zielińska, S.; Sionkowska, A.; Reczyńska, K.; Pamuła, E. Physico-chemical characterization and biological tests of collagen/silk fibroin/chitosan scaffolds cross-linked by dialdehyde starch. Polymers 2020, 12, 372. [Google Scholar] [CrossRef] [Green Version]
- Sionkowska, A.; Kaczmarek, B. Preparation and characterization of composites based on the blends of collagen, chitosan and hyaluronic acid with nano-hydroxyapatite. Int. J. Biol. Macromol. 2017, 102, 658–666. [Google Scholar] [CrossRef] [PubMed]
- Gao, Y.; Liu, Q.; Kong, W.; Wang, J.; He, L.; Guo, L.; Lin, H.; Fan, H.; Fan, Y.; Zhang, X. Activated hyaluronic acid/collagen composite hydrogel with tunable physical properties and improved biological properties. Int. J. Biol. Macromol. 2020, 164, 2186–2196. [Google Scholar] [CrossRef]
- Rodríguez-Vázquez, M.; Vega-Ruiz, B.; Ramos-Zúñiga, R.; Saldaña-Koppel, D.A.; Quiñones-Olvera, L.F. Chitosan and Its Potential Use as a Scaffold for Tissue Engineering in Regenerative Medicine. BioMed Res. Int. 2015, 2015, 821279. [Google Scholar] [CrossRef] [Green Version]
- Schwab, A.; Helary, C.; Richards, G.; Alini, M.; Eglin, D.; D’Este, M. Tissue mimetic hyaluronan bioink containing collagen fibers with controlled orientation modulating cell morphology and alignment. Mater. Today Bio 2020, 7, 100058. [Google Scholar] [CrossRef]
- Li, Y.; Liu, Y.; Li, R.; Bai, H.; Zhu, Z.; Zhu, L.; Zhu, C.; Che, Z.; Liu, H.; Wang, J.; et al. Collagen-based biomaterials for bone tissue engineering. Mater. Des. 2021, 210, 110049. [Google Scholar] [CrossRef]
- Dong, C.; Lv, Y. Application of collagen scaffold in tissue engineering: Recent advances and new perspectives. Polymers 2016, 8, 42. [Google Scholar] [CrossRef] [Green Version]
- Gupta, R.C.; Lall, R.; Srivastava, A.; Sinha, A. Hyaluronic acid: Molecular mechanisms and therapeutic trajectory. Front. Vet. Sci. 2019, 6, 192. [Google Scholar] [CrossRef] [Green Version]
- Litwiniuk, M.; Krejner, A. Hyaluronic Acid in Inflammation and Tissue Regeneration. Wounds 2016, 28, 78–88. [Google Scholar] [PubMed]
- Dovedytis, M.; Liu, Z.J.; Bartlett, S. Hyaluronic acid and its biomedical applications: A review. Eng. Regen. 2020, 1, 102–113. [Google Scholar] [CrossRef]
- Papakonstantinou, E.; Roth, M.; Karakiulakis, G. Hyaluronic acid: A key molecule in skin aging. Dermato-endocrinology 2012, 4, 253–258. [Google Scholar] [CrossRef] [PubMed] [Green Version]
- Baumann, L. Skin ageing and its treatment. J. Pathol. 2007, 211, 241–251. [Google Scholar] [CrossRef] [PubMed]
- Šoltés, L.; Mendichi, R.; Kogan, G.; Schiller, J.; Stankovská, M.; Arnhold, J. Degradative action of reactive oxygen species on hyaluronan. Biomacromolecules 2006, 7, 659–668. [Google Scholar] [CrossRef]
- Domalik-Pyzik, P.; Chłopek, J.; Pielichowska, K. Chitosan-Based Hydrogels: Preparation, Properties, and Applications. In Cellulose-Based Superabsorbent Hydrogels. Polymers and Polymeric Composites: A Reference Series; Mondal, M., Ed.; Springer: Cham, Switzerland, 2019; pp. 1665–1693. [Google Scholar]
- Mathaba, M.; Daramola, M.O. Effect of chitosan’s degree of deacetylation on the performance of pes membrane infused with chitosan during amd treatment. Membranes 2020, 10, 52. [Google Scholar] [CrossRef] [Green Version]
- Hsu, S.H.; Whu, S.W.; Tsai, C.L.; Wu, Y.H.; Chen, H.W.; Hsieh, K.H. Chitosan as scaffold materials: Effects of molecular weight and degree of deacetylation. J. Polym. Res. 2004, 11, 141–147. [Google Scholar] [CrossRef]
- Seda Tığlı, R.; Karakeçili, A.; Gümüşderelioğlu, M. In vitro characterization of chitosan scaffolds: Influence of composition and deacetylation degree. J. Mater. Sci. Mater. Med. 2007, 18, 1665–1674. [Google Scholar] [CrossRef]
- Lestari, W.; Yusry, W.N.A.W.; Haris, M.S.; Jaswir, I.; Idrus, E. A glimpse on the function of chitosan as a dental hemostatic agent. Jpn. Dent. Sci. Rev. 2020, 56, 147–154. [Google Scholar] [CrossRef]
- Wu, X.; Black, L.; Santacana-Laffitte, G.; Patrick, C.W. Preparation and assessment of glutaraldehyde-crosslinked collagen-chitosan hydrogels for adipose tissue engineering. J. Biomed. Mater. Res.—Part A 2007, 81, 59–65. [Google Scholar] [CrossRef] [PubMed]
- Yan, L.P.; Wang, Y.J.; Ren, L.; Wu, G.; Caridade, S.G.; Fan, J.B.; Wang, L.Y.; Ji, P.H.; Oliveira, J.M.; Oliveira, J.T.; et al. Genipin-cross-linked collagen/chitosan biomimetic scaffolds for articular cartilage tissue engineering applications. J. Biomed. Mater. Res.—Part A 2010, 95A, 465–475. [Google Scholar] [CrossRef] [Green Version]
- Chattopadhyay, S.; Raines, R.T. Review collagen-based biomaterials for wound healing. Biopolymers 2014, 101, 821–833. [Google Scholar] [CrossRef] [PubMed] [Green Version]
- Mathew-Steiner, S.S.; Roy, S.; Sen, C.K. Collagen in wound healing. Bioengineering 2021, 8, 63. [Google Scholar] [CrossRef] [PubMed]
- Jirofti, N.; Golandi, M.; Movaffagh, J.; Ahmadi, F.S.; Kalalinia, F. Improvement of the Wound-Healing Process by Curcumin-Loaded Chitosan/Collagen Blend Electrospun Nanofibers: In vitro and in vivo Studies. ACS Biomater. Sci. Eng. 2021, 7, 3886–3897. [Google Scholar] [CrossRef]
- Susanto, A.; Susanah, S.; Priosoeryanto, B.P.; Satari, M.H.; Komara, I. The effect of the chitosan-collagen membrane on wound healing process in rat mandibular defect. J. Indian Soc. Periodontol. 2019, 23, 113–118. [Google Scholar] [CrossRef]
- Zhang, M.X.; Zhao, W.Y.; Fang, Q.Q.; Wang, X.F.; Chen, C.Y.; Shi, B.H.; Zheng, B.; Wang, S.J.; Tan, W.Q.; Wu, L.H. Effects of chitosan-collagen dressing on wound healing in vitro and in vivo assays. J. Appl. Biomater. Funct. Mater. 2021, 19, 2280800021989698. [Google Scholar] [CrossRef]
- Sadeghi-Avalshahr, A.R.; Nokhasteh, S.; Molavi, A.M.; Mohammad-Pour, N.; Sadeghi, M. Tailored PCL scaffolds as skin substitutes using sacrificial PVP fibers and collagen/chitosan blends. Int. J. Mol. Sci. 2020, 21, 2311. [Google Scholar] [CrossRef] [Green Version]
- Sharma, S.; Batra, S. Recent advances of chitosan composites in artificial skin: The next era for potential biomedical application. Mater. Biomed. Eng. Nanobiomater. Tissue Eng. 2019, 97–119. [Google Scholar] [CrossRef]
- Fatemi, M.J.; Garahgheshlagh, S.N.; Ghadimi, T.; Jamili, S.; Nourani, M.R.; Sharifi, A.M.; Saberi, M.; Amini, N.; Sarmadi, V.H.; Yazdi-Amirkhiz, S.Y. Investigating the Impact of Collagen-Chitosan Derived from Scomberomorus Guttatus and Shrimp Skin on Second-Degree Burn in Rats Model. Regen. Ther. 2021, 18, 12–20. [Google Scholar] [CrossRef] [PubMed]
- Mitura, S.; Sionkowska, A.; Jaiswal, A. Biopolymers for hydrogels in cosmetics: Review. J. Mater. Sci. Mater. Med. 2020, 31, 50. [Google Scholar] [CrossRef] [PubMed]
- Li, H.; Hu, C.; Yu, H.; Chen, C. Chitosan composite scaffolds for articular cartilage defect repair: A review. RSC Adv. 2018, 8, 3736–3749. [Google Scholar] [CrossRef]
- Cui, A.; Li, H.; Wang, D.; Zhong, J.; Chen, Y.; Lu, H. Global, regional prevalence, incidence and risk factors of knee osteoarthritis in population-based studies. EClinicalMedicine 2020, 29–30, 100587. [Google Scholar] [CrossRef] [PubMed]
- Hamood, R.; Tirosh, M.; Fallach, N.; Chodick, G.; Eisenberg, E.; Lubovsky, O. Prevalence and incidence of osteoarthritis: A population-based retrospective cohort study. J. Clin. Med. 2021, 10, 4282. [Google Scholar] [CrossRef]
- Gadomski, A.; Kruszewska, N.; Bełdowski, P. Temperature dependent volume expansion of microgel in nonequilibria. Eur. Phys. J. B 2018, 91, 237. [Google Scholar] [CrossRef]
- Gadomski, A.; Bełdowski, P.; Augé, W.K., II; Hładyszowski, J.; Pawlak, Z.; Urbaniak, W. Toward a governing mechanism of nanoscale articular cartilage (physiologic) lubrication: Smoluchowski-type dynamics in amphiphile proton channels. Acta Phys. Pol. B 2013, 44, 1801–1820. [Google Scholar] [CrossRef]
- Dėdinaitė, A.; Wieland, D.C.F.; Bełdowski, P.; Claesson, P.M. Biolubrication synergy: Hyaluronan—Phospholipid interactions at interfaces. Adv. Colloid Interface Sci. 2019, 274, 102050. [Google Scholar] [CrossRef]
- Bier, M. Processive motor protein as an overdamped brownian stepper. Phys. Rev. Lett. 2003, 91, 148104. [Google Scholar] [CrossRef] [Green Version]
- Beldowski, P.; Mazurkiewicz, A.; Topoliński, T.; Małek, T. Hydrogen and water bonding between glycosaminoglycans and phospholipids in the synovial fluid: Molecular dynamics study. Materials 2019, 12, 2060. [Google Scholar] [CrossRef] [Green Version]
- Bełdowski, P.; Przybyłek, M.; Raczyński, P.; Dedinaite, A.; Górny, K.; Wieland, F.; Dendzik, Z.; Sionkowska, A.; Claesson, P.M. Albumin–hyaluronan interactions: Influence of ionic composition probed by molecular dynamics. Int. J. Mol. Sci. 2021, 22, 12360. [Google Scholar] [CrossRef]
- Eyre, D.R. The collagens of articular cartilage. Semin. Arthritis Rheum. 1991, 21, 2–11. [Google Scholar] [CrossRef]
- Kannus, P. Structure of the tendon connective tissue. Scand. J. Med. Sci. Sport. 2000, 10, 312–320. [Google Scholar] [CrossRef] [PubMed]
- Risteli, L.; Koivula, M.K.; Risteli, J. Procollagen assays in cancer. Adv. Clin. Chem. 2014, 66, 79–100. [Google Scholar] [PubMed]
- Aigner, T.; Betling, W.; Stöss, H.; Weseloh, G.; Von Der Mark, K. Independent expression of fibril-forming collagens I, II, and III in chondrocytes of human osteoarthritic cartilage. J. Clin. Investig. 1993, 91, 829–837. [Google Scholar] [CrossRef]
- Hosseininia, S.; Weis, M.A.; Rai, J.; Kim, L.; Funk, S.; Dahlberg, L.E.; Eyre, D.R. Evidence for enhanced collagen type III deposition focally in the territorial matrix of osteoarthritic hip articular cartilage. Osteoarthr. Cartil. 2016, 24, 1029–1035. [Google Scholar] [CrossRef] [Green Version]
- Wang, C.; Brisson, B.K.; Terajima, M.; Li, Q.; Hoxha, K.; Han, B.; Goldberg, A.M.; Sherry Liu, X.; Marcolongo, M.S.; Enomoto-Iwamoto, M.; et al. Type III collagen is a key regulator of the collagen fibrillar structure and biomechanics of articular cartilage and meniscus. Matrix Biol. 2020, 85–86, 47–67. [Google Scholar] [CrossRef] [PubMed]
- Wang, B.; Liu, W.; Xing, D.; Li, R.; Lv, C.; Li, Y.; Yan, X.; Ke, Y.; Xu, Y.; Du, Y.; et al. Injectable nanohydroxyapatite-chitosan-gelatin micro-scaffolds induce regeneration of knee subchondral bone lesions. Sci. Rep. 2017, 7, 16709. [Google Scholar] [CrossRef] [Green Version]
- Rieger, R.; Boulocher, C.; Kaderli, S.; Hoc, T. Chitosan in viscosupplementation: In vivo effect on rabbit subchondral bone. BMC Musculoskelet. Disord. 2017, 18, 350. [Google Scholar] [CrossRef] [Green Version]
- Mou, D.; Yu, Q.; Zhang, J.; Zhou, J.; Li, X.; Zhuang, W.; Yang, X. Intra-articular Injection of Chitosan-Based Supramolecular Hydrogel for Osteoarthritis Treatment. Tissue Eng. Regen. Med. 2021, 18, 113–125. [Google Scholar] [CrossRef]
- Patchornik, S.; Ram, E.; Ben Shalom, N.; Nevo, Z.; Robinson, D. Chitosan-Hyaluronate Hybrid Gel Intraarticular Injection Delays Osteoarthritis Progression and Reduces Pain in a Rat Meniscectomy Model as Compared to Saline and Hyaluronate Treatment. Adv. Orthop. 2012, 2012, 979152. [Google Scholar] [CrossRef] [Green Version]
- Kramer, R.Z.; Bella, J.; Mayville, P.; Brodsky, B.; Berman, H.M. Sequence dependent conformational variations of collagen triple-helical structure. Nat. Struct. Biol. 1999, 6, 454–457. [Google Scholar] [PubMed]
- Trott, O.; Olson, A.J. AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. J. Comput. Chem. 2010, 31, 455–461. [Google Scholar] [CrossRef] [Green Version]
- Duan, Y.; Wu, C.; Chowdhury, S.; Lee, M.C.; Xiong, G.; Zhang, W.; Yang, R.; Cieplak, P.; Luo, R.; Lee, T.; et al. A Point-Charge Force Field for Molecular Mechanics Simulations of Proteins Based on Condensed-Phase Quantum Mechanical Calculations. J. Comput. Chem. 2003, 24, 1999–2012. [Google Scholar] [CrossRef] [PubMed]
- Kirschner, K.N.; Yongye, A.B.; Tschampel, S.M.; González-Outeiriño, J.; Daniels, C.R.; Foley, B.L.; Woods, R.J. GLYCAM06: A generalizable biomolecular force field. carbohydrates. J. Comput. Chem. 2008, 29, 622–655. [Google Scholar] [CrossRef] [PubMed] [Green Version]
- Krieger, E.; Vriend, G. YASARA View—Molecular graphics for all devices—From smartphones to workstations. Bioinformatics 2014, 30, 2981–2982. [Google Scholar] [CrossRef] [Green Version]
- Krieger, E.; Koraimann, G.; Vriend, G. Increasing the precision of comparative models with YASARA NOVA—A self-parameterizing force field. Proteins Struct. Funct. Genet. 2002, 47, 393–402. [Google Scholar] [CrossRef]
- Krieger, E.; Dunbrack, R.L.; Hooft, R.W.W.; Krieger, B. Assignment of protonation states in proteins and ligands: Combining pK a prediction with hydrogen bonding network optimization. Methods Mol. Biol. 2012, 819, 405–421. [Google Scholar]
- Mark, P.; Nilsson, L. Structure and dynamics of the TIP3P, SPC, and SPC/E water models at 298 K. J. Phys. Chem. A 2001, 105, 9954–9960. [Google Scholar] [CrossRef]
- Essmann, U.; Perera, L.; Berkowitz, M.L.; Darden, T.; Lee, H.; Pedersen, L.G. A smooth particle mesh Ewald method. J. Chem. Phys. 1995, 103, 8577–8593. [Google Scholar] [CrossRef] [Green Version]
- Krieger, E.; Vriend, G. New ways to boost molecular dynamics simulations. J. Comput. Chem. 2015, 36, 996–1007. [Google Scholar] [CrossRef] [PubMed]
- Shoulders, M.D.; Raines, R.T. Collagen structure and stability. Annu. Rev. Biochem. 2009, 78, 929–958. [Google Scholar] [CrossRef] [PubMed] [Green Version]
- Udhayakumar, S.; Shankar, K.G.; Sowndarya, S.; Venkatesh, S.; Muralidharan, C.; Rose, C. L-Arginine intercedes bio-crosslinking of a collagen-chitosan 3D-hybrid scaffold for tissue engineering and regeneration: In silico, in vitro, and in vivo studies. RSC Adv. 2017, 7, 25070–25088. [Google Scholar] [CrossRef] [Green Version]
- In’t Veld, P.J.; Stevens, M.J. Simulation of the mechanical strength of a single collagen molecule. Biophys. J. 2008, 95, 33–39. [Google Scholar] [CrossRef] [Green Version]
- Bella, J. Collagen structure: New tricks from a very old dog. Biochem. J. 2016, 473, 1001–1025. [Google Scholar] [CrossRef]
- Ye, Y.; Dan, W.; Zeng, R.; Lin, H.; Dan, N.; Guan, L.; Mi, Z. Miscibility studies on the blends of collagen/chitosan by dilute solution viscometry. Eur. Polym. J. 2007, 43, 2066–2071. [Google Scholar] [CrossRef]
- Tishchenko, S.; Kostareva, O.; Gabdulkhakov, A.; Mikhaylina, A.; Nikonova, E.; Nevskaya, N.; Sarskikh, A.; Piendl, W.; Garber, M.; Nikonov, S. Protein-RNA affinity of ribosomal protein L1 mutants does not correlate with the number of intermolecular interactions. Acta Crystallogr. Sect. D Biol. Crystallogr. 2015, 71, 376–386. [Google Scholar] [CrossRef] [PubMed]
- Orgel, J.P.R.O.; Miller, A.; Irving, T.C.; Fischetti, R.F.; Hammersley, A.P.; Wess, T.J. The in situ supermolecular structure of type I collagen. Structure 2001, 9, 1061–1069. [Google Scholar] [CrossRef] [Green Version]
- Bella, J. A new method for describing the helical conformation of collagen: Dependence of the triple helical twist on amino acid sequence. J. Struct. Biol. 2010, 170, 377–391. [Google Scholar] [CrossRef] [PubMed]
- Jenkins, C.L.; Bretscher, L.E.; Guzei, I.A.; Raines, R.T. Effect of 3-hydroxyproline residues on collagen stability. J. Am. Chem. Soc. 2003, 125, 6422–6427. [Google Scholar] [CrossRef] [PubMed]
- Sionkowska, A.; Wisniewski, M.; Skopinska, J.; Kennedy, C.J.; Wess, T.J. Molecular interactions in collagen and chitosan blends. Biomaterials 2004, 25, 795–801. [Google Scholar] [CrossRef]
- Sannan, T.; Kurita, K.; Iwakura, Y. Studies on chitin, 2. Effect of deacetylation on solubility. Die Makromol. Chem. 1976, 177, 3589–3600. [Google Scholar] [CrossRef]
- Staroszczyk, H.; Sztuka, K.; Wolska, J.; Wojtasz-Paja̧k, A.; Kołodziejska, I. Interactions of fish gelatin and chitosan in uncrosslinked and crosslinked with EDC films: FT-IR study. Spectrochim. Acta—Part A Mol. Biomol. Spectrosc. 2014, 117, 707–712. [Google Scholar] [CrossRef]
Publisher’s Note: MDPI stays neutral with regard to jurisdictional claims in published maps and institutional affiliations. |
© 2022 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
Share and Cite
Bełdowski, P.; Przybyłek, M.; Sionkowska, A.; Cysewski, P.; Gadomska, M.; Musiał, K.; Gadomski, A. Effect of Chitosan Deacetylation on Its Affinity to Type III Collagen: A Molecular Dynamics Study. Materials 2022, 15, 463. https://doi.org/10.3390/ma15020463
Bełdowski P, Przybyłek M, Sionkowska A, Cysewski P, Gadomska M, Musiał K, Gadomski A. Effect of Chitosan Deacetylation on Its Affinity to Type III Collagen: A Molecular Dynamics Study. Materials. 2022; 15(2):463. https://doi.org/10.3390/ma15020463
Chicago/Turabian StyleBełdowski, Piotr, Maciej Przybyłek, Alina Sionkowska, Piotr Cysewski, Magdalena Gadomska, Katarzyna Musiał, and Adam Gadomski. 2022. "Effect of Chitosan Deacetylation on Its Affinity to Type III Collagen: A Molecular Dynamics Study" Materials 15, no. 2: 463. https://doi.org/10.3390/ma15020463