Tools
3. Tools
As shown in the figure below, six Java-based analysis tools were developed, including HotSpot Search, EHP-Tool, BPP-Tool, AASD-Tool, Peptide Calculator and Multi-cross Analysis. They can support bioactive peptide traceability analysis, enzymatic hydrolysis simulation, peptide bitterness prediction, generation of feature vector of peptide sequence, calculation of peptide physiochemical properties, and multifunctional peptide analysis.
3.1 HotSpot Search Tool
Hotspot Search Tool is to find the position distribution of a peptide in different proteins/species, mainly through the following two steps, for example, search as figure shown:
The distribution information of peptide in food-borne protiens will be returned:
Click the protein option you want to view, and then view the detailed site distribution information of the peptide in the protein:
  • Highlight sequence: Highlight the bioactive peptide sequence contained in the protein.
  • Search result: The number of bioactive peptide fragments contained in the protein sequence.
  • Sequence Location: The specific position of the bioactive peptide fragment in the protein sequence.
3.2 Enzymatic Hydrolysis (EHP-Tool)
EHP-Tool can be used to cleave a given protein sequence according to the potential cleavage sites of proteases to obtain potential bioactive peptides. EHP-Tool will return the detailed information of the cleaved sequence, thereby to carry out relevant analysis on the resulting sequence, such as restriction site, peptide activity, bitterness prediction, etc.
Step1: To select protein sequence
Please choose one of the two modes: to select protein list, or to input the protein sequence.
Step2: Select simulated hydrolase
Please select at least one enzyme for hydrolysis each time. Click the corresponding enzyme name to view detailed information.
  • Highlight sequence: Highlight the bioactive peptide sequence contained in the protein.
  • Search result: The number of bioactive peptide fragments contained in the protein sequence.
  • Sequence Location: The specific position of the bioactive peptide fragment in the protein sequence.
3.3 Bitter Prediction
BPP-Tool is to calculate the Q-value based on peptide sequence characteristics and predict whether peptide has a bitter taste. The results are divided into three situations, as shown in the following figure:
According to the calculated Q value, predict whether the peptide has a bitter taste. If the Q-value is less than 1300, it is considered that there is no bitter taste. If the Q-value is greater than 1300 and less than 1400, it may be bitter or not, and if it is greater than 1400, it is considered bitter.
3.4 AASD-Tool
AASD-Tool is to generate peptide feature vectors in batches, which contains 20 structural characterization scales. By uploading txt text containing peptides, you can quickly generate feature vectors of peptides, which can be used for molecular modeling and bioinformatics prediction, etc.
The operation process is as follows:
Note: You need to prepare a txt file containing peptides as shown in the figure below in advance. There is only one peptide sequence per line.
3.5 Peptide Calculator
Peptide calculator is to calculate the physicochemical properties of peptides, including isoelectric point, molecular weight, hydrophobic residue ratio, net charge, etc.
Taking peptide 'LKP' as an example, the calculation results are as follows:
3.6 Multi-cross analysis
Multi-cross analysis is a tool for cross-searching 28 kinds of bioactive peptides. It's helpful for discovery of multifunctional peptides and their mechanism of action. Through Multi-cross analysis of 28 bioactive peptides, 26 of them were found to have multifunctional properties.
DFBP developed multifunctional peptide mining tools, and discovered about 700 unreported multifunctional bioactive molecules. Through the combined screening of bioactive peptides with different activities/functions, multifunctional peptide drug candidates for controlling multifactorial diseases can be obtained.
Taking peptide 'ACE-inhibitory and Anticancer peptides' as an example, the screening results are as follows:
It can be seen that there are 26 multifunctional peptides with both ACE-inhibitory and anticancer activity. In the list, DFBP supports the filtering operation of multifunctional peptides.