Photostabilizers have been used to impart stability to an FDA‐approved chemical UV‐A filter avobe... more Photostabilizers have been used to impart stability to an FDA‐approved chemical UV‐A filter avobenzone against the UV‐A radiations and sunlight. The thiol group of glutathione plays a critical role in imparting the photostabilization activity of glutathione on avobenzone. The current report aims to evaluate the photostabilization activity of multiple thiols containing cysteine peptides on avobenzone. Cysteine‐tripeptide and cysteine‐pentapeptide were chemically synthesized and characterized using mass spectrometry. Synthetic peptides were assessed for their photostabilization activity on the enolic‐form of the avobenzone under natural sunlight using UV spectroscopy in both protic and aprotic solvents. Unlike glutathione, which has pronounced activity in protic solvents, cysteine‐pentapeptide exhibits similar photoprotection activity in both protic and aprotic solvents. Computational calculations using DFT suggest that peptide cysteine thiols may assist in the reversal of the photoketonization process of avobenzone thereby exhibiting the photoprotection activity to the enolic‐form of avobenzone. Peptide cysteine thiols lower the activation energy barrier of keto‐to‐enol tautomerization of avobenzone by 30 kcal mol−1 by assisting the proton shuttle through a six‐membered transition state. The current report emphasizes the applications of peptide thiols in cosmetics and may help in the development of peptides as aesthetic medicines.
Performance enhancement drugs build muscle mass and increase stamina in athletes, making them a p... more Performance enhancement drugs build muscle mass and increase stamina in athletes, making them a potential candidate for abuse in sports competitions. World Anti‐Doping Agency is an international organization responsible for developing standard guidelines, listing agents prohibited for usage in all athletic events, and taking stringent actions for any discrepancies. Sophisticated analytical instruments and statistical tools are regularly used for the chemical fingerprinting of doping agents in different biological matrices. There is an ever‐increasing demand for developing novel and sensitive mass spectrometry methods for detecting new substances of abuse. This review focuses on applying hyphenated chromatographic techniques, emphasizing advanced mass spectrometric methods to analyze different classes of prohibited substances listed by the World Anti‐Doping Agency.
Photostabilizers have been used to impart stability to an FDA‐approved chemical UV‐A filter avobe... more Photostabilizers have been used to impart stability to an FDA‐approved chemical UV‐A filter avobenzone against the UV‐A radiations and sunlight. The thiol group of glutathione plays a critical role in imparting the photostabilization activity of glutathione on avobenzone. The current report aims to evaluate the photostabilization activity of multiple thiols containing cysteine peptides on avobenzone. Cysteine‐tripeptide and cysteine‐pentapeptide were chemically synthesized and characterized using mass spectrometry. Synthetic peptides were assessed for their photostabilization activity on the enolic‐form of the avobenzone under natural sunlight using UV spectroscopy in both protic and aprotic solvents. Unlike glutathione, which has pronounced activity in protic solvents, cysteine‐pentapeptide exhibits similar photoprotection activity in both protic and aprotic solvents. Computational calculations using DFT suggest that peptide cysteine thiols may assist in the reversal of the photoke...
Metabolite identification is a crucial part of the drug discovery process. LC–MS/MS-based metabol... more Metabolite identification is a crucial part of the drug discovery process. LC–MS/MS-based metabolite identification has gained widespread use, but the data acquired by the LC–MS/MS instrument is complex, and thus the interpretation of data becomes troublesome. Fortunately, advancements in data mining techniques have simplified the process of data interpretation with improved mass accuracy and provide a potentially selective, sensitive, accurate and comprehensive way for metabolite identification. In this review, we have discussed the targeted (extracted ion chromatogram, mass defect filter, product ion filter, neutral loss filter and isotope pattern filter) and untargeted (control sample comparison, background subtraction and metabolomic approaches) post-acquisition data mining techniques, which facilitate the drug metabolite identification. We have also discussed the importance of integrated data mining strategy.
Photostabilizers have been used to impart stability to an FDA‐approved chemical UV‐A filter avobe... more Photostabilizers have been used to impart stability to an FDA‐approved chemical UV‐A filter avobenzone against the UV‐A radiations and sunlight. The thiol group of glutathione plays a critical role in imparting the photostabilization activity of glutathione on avobenzone. The current report aims to evaluate the photostabilization activity of multiple thiols containing cysteine peptides on avobenzone. Cysteine‐tripeptide and cysteine‐pentapeptide were chemically synthesized and characterized using mass spectrometry. Synthetic peptides were assessed for their photostabilization activity on the enolic‐form of the avobenzone under natural sunlight using UV spectroscopy in both protic and aprotic solvents. Unlike glutathione, which has pronounced activity in protic solvents, cysteine‐pentapeptide exhibits similar photoprotection activity in both protic and aprotic solvents. Computational calculations using DFT suggest that peptide cysteine thiols may assist in the reversal of the photoketonization process of avobenzone thereby exhibiting the photoprotection activity to the enolic‐form of avobenzone. Peptide cysteine thiols lower the activation energy barrier of keto‐to‐enol tautomerization of avobenzone by 30 kcal mol−1 by assisting the proton shuttle through a six‐membered transition state. The current report emphasizes the applications of peptide thiols in cosmetics and may help in the development of peptides as aesthetic medicines.
Performance enhancement drugs build muscle mass and increase stamina in athletes, making them a p... more Performance enhancement drugs build muscle mass and increase stamina in athletes, making them a potential candidate for abuse in sports competitions. World Anti‐Doping Agency is an international organization responsible for developing standard guidelines, listing agents prohibited for usage in all athletic events, and taking stringent actions for any discrepancies. Sophisticated analytical instruments and statistical tools are regularly used for the chemical fingerprinting of doping agents in different biological matrices. There is an ever‐increasing demand for developing novel and sensitive mass spectrometry methods for detecting new substances of abuse. This review focuses on applying hyphenated chromatographic techniques, emphasizing advanced mass spectrometric methods to analyze different classes of prohibited substances listed by the World Anti‐Doping Agency.
Photostabilizers have been used to impart stability to an FDA‐approved chemical UV‐A filter avobe... more Photostabilizers have been used to impart stability to an FDA‐approved chemical UV‐A filter avobenzone against the UV‐A radiations and sunlight. The thiol group of glutathione plays a critical role in imparting the photostabilization activity of glutathione on avobenzone. The current report aims to evaluate the photostabilization activity of multiple thiols containing cysteine peptides on avobenzone. Cysteine‐tripeptide and cysteine‐pentapeptide were chemically synthesized and characterized using mass spectrometry. Synthetic peptides were assessed for their photostabilization activity on the enolic‐form of the avobenzone under natural sunlight using UV spectroscopy in both protic and aprotic solvents. Unlike glutathione, which has pronounced activity in protic solvents, cysteine‐pentapeptide exhibits similar photoprotection activity in both protic and aprotic solvents. Computational calculations using DFT suggest that peptide cysteine thiols may assist in the reversal of the photoke...
Metabolite identification is a crucial part of the drug discovery process. LC–MS/MS-based metabol... more Metabolite identification is a crucial part of the drug discovery process. LC–MS/MS-based metabolite identification has gained widespread use, but the data acquired by the LC–MS/MS instrument is complex, and thus the interpretation of data becomes troublesome. Fortunately, advancements in data mining techniques have simplified the process of data interpretation with improved mass accuracy and provide a potentially selective, sensitive, accurate and comprehensive way for metabolite identification. In this review, we have discussed the targeted (extracted ion chromatogram, mass defect filter, product ion filter, neutral loss filter and isotope pattern filter) and untargeted (control sample comparison, background subtraction and metabolomic approaches) post-acquisition data mining techniques, which facilitate the drug metabolite identification. We have also discussed the importance of integrated data mining strategy.
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Papers by Pooja Dhurjad