Department of Zoology, Faculty of Science, Kasetsart University, Bangkok 10900, Thailand.
Department of Genetics, Faculty of Science, Kasetsart University, Bangkok 10900, Thailand.
Molecules. 2022 Mar 31;27(7):2290. doi: 10.3390/molecules27072290.
Acne vulgaris is a common skin disease mainly caused by the Gram-positive pathogenic bacterium, . This bacterium stimulates the inflammation process in human sebaceous glands. The giant African snail () is an alien species that rapidly reproduces and seriously damages agricultural products in Thailand. There were several research reports on the medical and pharmaceutical benefits of these snail mucus peptides and proteins. This study aimed to in silico predict multifunctional bioactive peptides from mucus peptidome using bioinformatic tools for the determination of antimicrobial (iAMPpred), anti-biofilm (dPABBs), cytotoxic (ToxinPred) and cell-membrane-penetrating (CPPpred) peptides. Three candidate peptides with the highest predictive score were selected and re-designed/modified to improve the required activities. Structural and physicochemical properties of six anti- (APA) peptide candidates were performed using the PEP-FOLD3 program and the four previous tools. All candidates had a random coiled structure and were named APAP-1 ori, APAP-2 ori, APAP-3 ori, APAP-1 mod, APAP-2 mod, and APAP-3 mod. To validate the APA activity, these peptide candidates were synthesized and tested against six isolates of . The modified APA peptides showed high APA activity on three isolates. Therefore, our biomimetic mucus peptides could be useful for preventing acne vulgaris and further examined on other activities important to medical and pharmaceutical applications.
寻常痤疮是一种常见的皮肤病，主要由革兰氏阳性致病细菌引起。这种细菌刺激人体皮脂腺的炎症过程。大褐云玛瑙螺（）是一种外来物种，在泰国迅速繁殖，严重破坏农产品。有几篇关于这些蜗牛黏液肽和蛋白质的药用和制药功效的研究报告。本研究旨在使用生物信息学工具从黏液肽组学中计算预测多功能生物活性肽，用于确定抗菌（iAMPpred）、抗生物膜（dPABBs）、细胞毒性（ToxinPred）和细胞膜穿透（CPPpred）肽。选择了三个具有最高预测评分的候选肽，并对其进行重新设计/修饰，以提高所需的活性。使用 PEP-FOLD3 程序和前四个工具对六种抗（APA）肽候选物的结构和物理化学性质进行了研究。所有候选物均具有无规卷曲结构，并被命名为 APAP-1 ori、APAP-2 ori、APAP-3 ori、APAP-1 mod、APAP-2 mod 和 APAP-3 mod。为了验证 APA 活性，这些肽候选物被合成并针对六种 进行了测试。修饰后的 APA 肽对三种分离株表现出高 APA 活性。因此，我们的仿生黏液肽可用于预防寻常痤疮，并在其他对医学和制药应用重要的活性方面进一步进行研究。
