Bakare Olalekan Olanrewaju, Gokul Arun, Jimoh Muhali Olaide, Klein Ashwil, Keyster Marshall
Environmental Biotechnology Laboratory, Department of Biotechnology, University of the Western Cape, Bellville, South Africa.
Department of Biochemistry, Faculty of Basic Medical Sciences, Olabisi Onabanjo University, Sagamu, Ogun State, Nigeria.
Front Bioinform. 2022 Sep 30;2:972529. doi: 10.3389/fbinf.2022.972529. eCollection 2022.
is worrisome because it severely threatens the agricultural productivity of certain crops such as tomatoes and peas, causing the general decline, wilting, and root necrosis. It has also been implicated in the infection of the human eye cornea. It is believed that early detection of the fungus could save these crops from the destructive activities of the fungus through early biocontrol measures. Therefore, the present work aimed to build a sensitive model of novel anti- antimicrobial peptides (AMPs) against the fungal cutinase 1 (CUT1) protein for early, sensitive and accurate detection. CUT1 receptor protein 2D secondary structure, model validation, and functional motifs were predicted. Subsequently, anti- AMPs were retrieved, and the HMMER algorithm was used to construct a model of the AMPs. After their structure predictions, the interaction analysis was analyzed for the CUT1 protein and the generated AMPs. The putative anti- AMPs bound the CUT1 protein very tightly, with OOB4 having the highest binding energy potential for HDock. The pyDockWeb generated high electrostatic, desolvation, and low van der Waals energies for all the AMPs against CUT1 protein, with OOB1 having the most significant interaction. The results suggested the utilization of AMPs for the timely intervention, control, and management of these crops, as mentioned earlier, to improve their agricultural productivity and reduce their economic loss and the use of HMMER for constructing models for disease detection.
这令人担忧,因为它严重威胁到某些作物(如西红柿和豌豆)的农业生产力,导致普遍衰退、枯萎和根部坏死。它还与人类眼角膜感染有关。人们认为,早期检测这种真菌可以通过早期生物防治措施使这些作物免受真菌的破坏活动。因此,目前的工作旨在建立一种针对真菌角质酶1(CUT1)蛋白的新型抗抗菌肽(AMPs)敏感模型,用于早期、灵敏和准确的检测。预测了CUT1受体蛋白的二维二级结构、模型验证和功能基序。随后,检索抗AMPs,并使用HMMER算法构建AMPs模型。在对其结构进行预测后,分析了CUT1蛋白与生成的AMPs之间的相互作用。推定的抗AMPs与CUT1蛋白结合非常紧密,其中OOB4对HDock具有最高的结合能潜力。pyDockWeb为所有针对CUT1蛋白的AMPs生成了高静电、去溶剂化和低范德华能,其中OOB1具有最显著的相互作用。结果表明,如前所述,利用AMPs对这些作物进行及时干预、控制和管理,以提高其农业生产力,减少经济损失,并利用HMMER构建疾病检测模型。