Large-Scale Analysis of Antimicrobial Activities in Relation to Amphipathicity and Charge Reveals Novel Characterization of Antimicrobial Peptides.
Large-Scale Analysis of Antimicrobial Activities in Relation to Amphipathicity and Charge Reveals Novel Characterization of Antimicrobial Peptides.
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DOI：
10.3390/molecules22112037
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发表时间：
2017-11-22
期刊：
影响因子：
--
通讯作者：
Chang KY
中科院分区：
文献类型：
--
作者：
Wang CK;Shih LY;Chang KY
目前还不清楚抗菌肽的抗菌活性(如抗革兰氏阳性菌、抗革兰氏阴性菌、抗真菌、抗寄生虫和抗病毒活性)对给定的物理化学性质最重要。这是第一次使用大规模的AMPS来研究抗菌活性与AMPS的两个主要物理化学性质-两亲性和净电荷之间的关系的计算研究。结果表明，在所有抑菌活性中，具有抗革兰氏阴性细菌活性的AMP与不具有抗革兰氏阴性细菌活性的AMP的两亲性和净电荷差异最大。在两亲性和电荷方面，除了抗革兰氏阳性细菌活性外，所有活性与两亲性和净电荷显著相关的AMPs都是相似的。此外，两亲性值越高，AMP同时具有抗菌和抗真菌活性的比例就越大。这种剂量-反应样模式表明了一种可能的因果关系-AMPS的双重抗菌和抗真菌活性可能归因于两亲性。这些新的发现可能有助于从计算上识别有效的AMP。
It has been unclear to which antimicrobial activities (e.g., anti-gram-positive bacterial, anti-gram-negative bacterial, antifungal, antiparasitic, and antiviral activities) of antimicrobial peptides (AMPs) a given physiochemical property matters most. This is the first computational study using large-scale AMPs to examine the relationships between antimicrobial activities and two major physiochemical properties of AMPs—amphipathicity and net charge. The results showed that among all kinds of antimicrobial activities, amphipathicity and net charge best differentiated between AMPs with and without anti-gram-negative bacterial activities. In terms of amphipathicity and charge, all the AMPs whose activities were significantly associated with amphipathicity and net charge were alike except those with anti-gram-positive bacterial activities. Furthermore, the higher the amphipathic value, the greater the proportion of AMPs possessing both antibacterial and antifungal activities. This dose–response-like pattern suggests a possible causal relationship—dual antibacterial and antifungal activities of AMPs may be attributable to amphipathicity. These novel findings could be useful for identifying potent AMPs computationally.
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影响因子：
3.7
作者：
Chang KY;Lin TP;Shih LY;Wang CK
通讯作者：
Wang CK
影响因子：
4.8
作者：
Lauth, X;Shike, H;Bulet, P
通讯作者：
Bulet, P
影响因子：
64.8
作者：
JANIN, J
通讯作者：
JANIN, J
影响因子：
3.8
作者：
Wachinger, M;Kleinschmidt, A;Brack-Werner, R
通讯作者：
Brack-Werner, R
影响因子：
4.4
作者：
Jabrane, A;Sabri, A;Thonart, P
通讯作者：
Thonart, P