Ciociola Tecla, Magliani Walter, De Simone Tiziano, Pertinhez Thelma A, Conti Stefania, Cozza Giorgio, Marin Oriano, Giovati Laura
Department of Medicine and Surgery, University of Parma, 43126 Parma, Italy.
Department of Molecular Medicine, University of Padua, 35131 Padua, Italy.
J Fungi (Basel). 2021 May 31;7(6):439. doi: 10.3390/jof7060439.
It has been previously demonstrated that synthetic antibody-derived peptides could exert a significant activity in vitro, ex vivo, and/or in vivo against microorganisms and viruses, as well as immunomodulatory effects through the activation of immune cells. Based on the sequence of previously described antibody-derived peptides with recognized antifungal activity, an in silico analysis was conducted to identify novel antifungal candidates. The present study analyzed the candidacidal and structural properties of in silico designed peptides (ISDPs) derived by amino acid substitutions of the parent peptide KKVTMTCSAS. ISDPs proved to be more active in vitro than the parent peptide and all proved to be therapeutic in candidal infection, without showing toxic effects on mammalian cells. ISDPs were studied by circular dichroism spectroscopy, demonstrating different structural organization. These results allowed to validate a consensus sequence for the parent peptide KKVTMTCSAS that may be useful in the development of novel antimicrobial molecules.
先前已证明，合成的抗体衍生肽在体外、离体和/或体内对微生物和病毒可发挥显著活性，并且通过激活免疫细胞产生免疫调节作用。基于先前描述的具有公认抗真菌活性的抗体衍生肽的序列，进行了计算机模拟分析以鉴定新的抗真菌候选物。本研究分析了通过亲本肽KKVTMTCSAS的氨基酸取代衍生的计算机模拟设计肽（ISDPs）的杀念珠菌活性和结构特性。ISDPs在体外比亲本肽更具活性，并且在念珠菌感染中均被证明具有治疗作用，而对哺乳动物细胞未显示出毒性作用。通过圆二色光谱法对ISDPs进行了研究，结果表明其具有不同的结构组织。这些结果使得能够验证亲本肽KKVTMTCSAS的共有序列，这可能有助于新型抗菌分子的开发。
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