In Silico Peptide Repertoire of Human Olfactory Receptor Proteomes on High-Stringency Mass Spectrometry

2019 ◽  
Vol 18 (12) ◽  
pp. 4117-4123 ◽  
Author(s):  
Subash Adhikari ◽  
Samridhi Sharma ◽  
Seong Beom Ahn ◽  
Mark S. Baker
Biomolecules ◽  
2021 ◽  
Vol 11 (4) ◽  
pp. 559
Author(s):  
Tipparat Thiangtrongjit ◽  
Nattapon Simanon ◽  
Poom Adisakwattana ◽  
Yanin Limpanont ◽  
Phiraphol Chusongsang ◽  
...  

Schistosoma mekongi is found in the lower Mekong river region and causes schistosomiasis. Low sensitivity of diagnosis and development of drug resistance are problems to eliminate this disease. To develop novel therapies and diagnostics for S. mekongi, the basic molecular biology of this pathogen needs to be explored. Bioactive peptides have been reported in several worms and play important roles in biological functions. Limited information is available on the S. mekongi peptidome. Therefore, this study aimed to identify S. mekongi peptides using in silico transcriptome mining and mass spectrometry approaches. Schistosoma peptide components were identified in adult worms, eggs, and infected mouse sera. Thirteen neuropeptide families were identified using in silico predictions from in-house transcriptomic databases of adult S. mekongi worms. Using mass spectrometry approaches, 118 peptides (from 54 precursor proteins) and 194 peptides (from 86 precursor proteins) were identified from adult worms and eggs, respectively. Importantly, eight unique peptides of the S. mekongi ubiquitin thioesterase, trabid, were identified in infected mouse sera 14, 28, and 56 days after infection. This protein may be a potential target for diagnosis of schistosomiasis. The S. mekongi peptide profiles determined in this study could be used for further drug and diagnostic development.


2020 ◽  
Vol 32 (8) ◽  
pp. 1857-1864
Author(s):  
G. Krishnaswamy ◽  
P. Raghuram Shetty ◽  
B. Roopa ◽  
Salma Banu ◽  
H.J. Preritha ◽  
...  

In the present investigation, we focused our interest on the synthesis of pharmacophoric units (quinoline and 1,2,3-triazole) linked through ester (3a-b) and (substituted aromatic ring and 1,2,3-triazole) linked through an ether (3c-h). The synthesis involves multiple sequence of reactions viz. diazotization reaction followed by nucleophilic substitution and finally Cu(I)-catalyzed alkyne azide cycloaddition reaction (CuAAC). The assigned structures of the compound were confirmed by 1H & 13C NMR and mass spectrometry. Prediction of activity spectra for substances (PASS) training set for the synthesized compounds were carried out using PASS software. Interestingly, PASS prediction of the compounds (3a-h) showed that the compounds are more potent as anti-inflammatory (Pa < 0.65) compared to antibacterial (Pa < 0.33) as well as antifungal agents (Pa < 0.35). Furthermore, these compounds were subjected to in silico ADMETox evaluation. All the compounds were found to pass the ADME evaluation and only few compounds passed the predicted toxicity evaluation. This work could be used as an initial approach in identifying potential novel molecules with promising activity and low toxicity.


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