Abstract：
Chitosan dialdehyde (ChDA) was prepared from a three-step process initiated by thermal organic acid hydrolysis, periodate oxidization, and precipitation from native chitosan (NCh). The developed ChDA resulted in an aldehydic content of about 82 % with increased solubility (89 %) and maximum yield (97 %). The functional alteration of the aldehydic (-CHO) group in ChDA was established using vibrational stretching at 1744 cm-1. The increase in the zone of inhibition of ChDA compared to NCh has confirmed the inherent antimicrobial effect against bacterial and fungal species. ChDA showed better antioxidant activity of about 97.4 % (DPPH) and 31.1 % (ABTS) compared to NCh, measuring 45.3 % (DPPH) and 15.9 % (ABTS), respectively. The novel insilico predictions of the ChDA\'s biocidal activity were confirmed through molecular docking studies. The amino acid moiety such as ARG 110 (A), ASN 206 (A), SER 208 (A), THR 117 (B), ASN 118 (B), and LYS 198 (B) residues of 7B53 peptide from E. coli represents the binding pockets responsible for interaction with aldehyde group of ChDA. Whereas PHE 115 (E), ALA 127 (H), TYR 119 (C), GLN 125 (H), ASN 175 (E), ARG 116 (E), LYS 101 (H), and LYS 129 (H) of 1IYL A peptide from Candida albicans makes possible for binding with ChDA. Hence, the synergistic effect of ChDA as a biocidal compound is found to be plausible in the drug delivery system for therapeutic applications.
摘要：
壳聚糖二醛（ChDA）是由热有机酸水解引发的三步工艺制备的，高碘酸盐氧化，和从天然壳聚糖(NCh)沉淀。开发的ChDA产生约82%的醛含量,具有增加的溶解度(89%)和最大产率(97%)。使用1744cm-1的振动拉伸建立了ChDA中醛（-CHO）基团的功能改变。与NCh相比，ChDA的抑制区域增加已证实了针对细菌和真菌物种的固有抗微生物作用。与NCh相比，ChDA显示出约97.4％（DPPH）和31.1％（ABTS）的更好的抗氧化活性，测量45.3%(DPPH)和15.9%(ABTS)，分别。通过分子对接研究证实了对ChDA杀生物活性的新的计算机预测。氨基酸部分，如ARG110(A)，ASN206(A)，SER208(A),THR117(B),ASN118（B），来自大肠杆菌的7B53肽的LYS198(B)残基代表负责与ChDA的醛基相互作用的结合袋。而PHE115(E)，ALA127(H),TYR119(C),GLN125(H),ASN175(E)，ARG116(E)，LYS101(H),和来自白色念珠菌的1IYLA肽的LYS129(H)使得与ChDA结合成为可能。因此，发现作为杀生物化合物的ChDA的协同作用在用于治疗应用的药物递送系统中是合理的。
