# Antimicrobial and Odour Qualities of Alkylpyrazines Occurring in Chocolate and Cocoa Products
## 3 Antimicrobial Activity of Pyrazines
### AntiBac-Pred and PASS Testing  
We decided to undertake the prediction of biological activity against microbes methods on the pyrazine compounds found in cocoa and chocolate as a part of our independent research. With AntiBac-Pred [59], we tested some relevant pyrazine structures. This online tool aims to assist users in making informed decisions about the chemical compounds to be utilized in antibacterial experimentation. Data on antibacterial activity that are accessible in ChEMBL (a database of bioactive molecules with drug-like properties) were used to construct this application. It gives users the option to categorize chemical structures according to whether they inhibit or do not inhibit the growth of 353 distinct bacterial strains, \begin{table}
\begin{tabular}{c c c c c c c c c c} \hline \hline
**C** & **Pyrazine Compound** & **Pyrazine Compound** & **Pyrazine** & **Pyrazine** & **Pyrazine** & **Pyrazine** & **Pyrazine** & **Pyrazine** \\ \hline
2 & methylpyrazine & & & & & & & & & & \\
4 & 2,5-dimethylpyrazine & & & & & & & & & \\
7 & tetramethylpyrazine & [46] & [47] & [47] & & & & & & & \\
9 & 2-ethyl-3-methylpyrazine & & & & & & & & & \\
10 & 2-ethyl-5-methylpyrazine & & & & & & & & & \\
13 & 2-ethyl-3,6-dimethylpyrazine & & & & & & & & & \\
33 & 2-isobutyl-3-methylpyrazine & & & [35] & & & & & & \\ \hline \hline \end{tabular}
\end{table} 
Table 2: Antibacterial and antimematode action of alkylpyrazines found in literature sources. \begin{table}
\begin{tabular}{c c c c c c c c c c c} \hline \hline
**C** & **Pyrazine Compound** & **Pyrazine** & **Pyrazine** & **Pyrazine** & **Pyrazine** & **Pyrazine** & **Pyrazine** & **Pyrazine** & **Pyrazine** \\
2 & methylpyrazine & [43] & [43; 49] & [43] & [43] & & & [43; 50] & & & & & \\
4 & 2,5- & & & & & & & & & & \\ dimethylpyrazine & [43] & [43] & [43; 50] & [51] & [43; 50] & [53] & [43] & [43] & [56] & [43; 56] & [56] & \\
6 & trimethylpyrazine & & & & & & & & & & & \\
7 & tetramethylpyrazine & & & & & & & & & & \\
8 & ethylpyrazine & & & & & & & & & & \\
9 & 2-ethyl-3- & & & & & & & & & & & \\
10 & 2-ethyl-5- & & & & & & & & & & \\ methylpyrazine & [43] & [43] & [43] & & & & & & & & & \\
12 & 2-ethyl-3,5- & & & & & & & & & & & \\
13 & dimethylpyrazine & & & & & & & & & & \\
20 & 2-methoxy-3- & & & & & & & & & & & \\ isopropyrazine & & & & & & & & & & & \\
33 & 2-isobutyl-3- & & & & & & & & & & & \\ methylpyrazine & & & & & & & & & & & \\ \hline \hline \end{tabular}
\end{table} 
Table 3: Antifungal and antioomycetic action of alkylpyrazines found in literature sources. including resistant and nonresistant strains [60]. The AntiBac-Pred assessment of pyrazine structures revealed antibacterial activity towards Corynebacterium jeiketium, Resistant Mycobacterium tuberculosis and Yersinia pestis. A total of eight representatives were discovered to be potentially active against Yersinia pestis, with high possibility values (Pa > 0.7) for pyrazine, tetramethylpyrazine, 2,3-dimethylpyrazine and 2,5-dimethylpyrazine, and higher medium possibility values (Pa > 0.6) for 2,6-dimethylpyrazine, 2-methylpyrazine and trimethylpyrazine. 2,5-Dimethylpyrazine and 2-methylpyrazine had medium odds (Pa > 0.5) of inhibiting Resistant Mycobacterium tuberculosis. Moreover, it may solidify our hypothesis regarding 2-methylpyrazine having a potential beneficial impact on Pyrazinamide antitubercular activity, by metabolizing to its active form of pyrazine-2-carboxylic acid. Tetramethylpyrazine, which was not included in Table 2, also had a Pa value of 0.5628 against Mycobacterium bovis BCG, and 3-ethyl-5-methyl-2-ethenylpyrazine also had a Pa value of 0.6276 against Micrococcus luteus. Samples, including 2-isobutyl-3-methoxypyrazine, 2,3,5-trimethyl-6-isopenthylpyrazine, 2-isobutyl-3-methylpyrazine and 2-isobutyl-3,5,6-trimethylpyrazine, displayed moderate Pa values (Pa > 0.5) against Coryneb bacterium jeikeium.