Structural characterisation and pH-dependent preference of pyrrole cross-link isoforms from reactions of oxoenal with cysteine and lysine side chains as model systems
In this study, we subjected 5,5-diethoxy-4-oxopent-2-enal (DOPE), a model amino acids cross-linking reagent, to reactions with N-acetylcysteine (Ac-Cys) and Nα-acetyllysine (Ac-Lys), and identified three pyrrole cross-links. The compounds were isolated and their structures were rigorously determined by spectrometric and spectroscopic methods, including 2D NMR experiments. The use of 2D NMR spectroscopy was crucial to determine the position of the substituents in the pyrrole rings. The products were identified as 2,4-, 2,3-, and 2,5-substituted pyrroles. The data obtained from their structural characterisation can help sim...
Source: Amino Acids - July 11, 2023 Category: Biochemistry Authors: Malwina Mu ńko Karolina Ciesielska Marcin Hoffmann Donata Pluskota-Karwatka Source Type: research
Structural characterisation and pH-dependent preference of pyrrole cross-link isoforms from reactions of oxoenal with cysteine and lysine side chains as model systems
In this study, we subjected 5,5-diethoxy-4-oxopent-2-enal (DOPE), a model amino acids cross-linking reagent, to reactions with N-acetylcysteine (Ac-Cys) and Nα-acetyllysine (Ac-Lys), and identified three pyrrole cross-links. The compounds were isolated and their structures were rigorously determined by spectrometric and spectroscopic methods, including 2D NMR experiments. The use of 2D NMR spectroscopy was crucial to determine the position of the substituents in the pyrrole rings. The products were identified as 2,4-, 2,3-, and 2,5-substituted pyrroles. The data obtained from their structural characterisation can help sim...
Source: Amino Acids - July 11, 2023 Category: Biochemistry Authors: Malwina Mu ńko Karolina Ciesielska Marcin Hoffmann Donata Pluskota-Karwatka Source Type: research
ACP-Dnnel: anti-coronavirus peptides' prediction based on deep neural network ensemble learning
In this study, we ensemble several state-of-the-art machine learning methodologies to build nine classification models for the prediction of ACovPs. These models were pre-trained using deep neural networks, and the performance of our ensemble model, ACP-Dnnel, was evaluated across three datasets and independent dataset. We followed Chou's 5-step rules. (1) we constructed the benchmark datasets data1, data2, and data3 for training and testing, and introduced the independent validation dataset ACVP-M; (2) we analyzed the peptides sequence composition feature of the benchmark dataset; (3) we constructed the ACP-Dnnel model wi...
Source: Amino Acids - July 4, 2023 Category: Biochemistry Authors: Mingyou Liu Hongmei Liu Tao Wu Yingxue Zhu Yuwei Zhou Ziru Huang Changcheng Xiang Jian Huang Source Type: research
ACP-Dnnel: anti-coronavirus peptides' prediction based on deep neural network ensemble learning
In this study, we ensemble several state-of-the-art machine learning methodologies to build nine classification models for the prediction of ACovPs. These models were pre-trained using deep neural networks, and the performance of our ensemble model, ACP-Dnnel, was evaluated across three datasets and independent dataset. We followed Chou's 5-step rules. (1) we constructed the benchmark datasets data1, data2, and data3 for training and testing, and introduced the independent validation dataset ACVP-M; (2) we analyzed the peptides sequence composition feature of the benchmark dataset; (3) we constructed the ACP-Dnnel model wi...
Source: Amino Acids - July 4, 2023 Category: Biochemistry Authors: Mingyou Liu Hongmei Liu Tao Wu Yingxue Zhu Yuwei Zhou Ziru Huang Changcheng Xiang Jian Huang Source Type: research
ACP-Dnnel: anti-coronavirus peptides' prediction based on deep neural network ensemble learning
In this study, we ensemble several state-of-the-art machine learning methodologies to build nine classification models for the prediction of ACovPs. These models were pre-trained using deep neural networks, and the performance of our ensemble model, ACP-Dnnel, was evaluated across three datasets and independent dataset. We followed Chou's 5-step rules. (1) we constructed the benchmark datasets data1, data2, and data3 for training and testing, and introduced the independent validation dataset ACVP-M; (2) we analyzed the peptides sequence composition feature of the benchmark dataset; (3) we constructed the ACP-Dnnel model wi...
Source: Amino Acids - July 4, 2023 Category: Biochemistry Authors: Mingyou Liu Hongmei Liu Tao Wu Yingxue Zhu Yuwei Zhou Ziru Huang Changcheng Xiang Jian Huang Source Type: research
