Unveiling Therapeutic Avenues for Crohn's Disease Management: Exploring Inhibitors for Adherent-Invasive Escherichia coli Propanediol Dehydratase
CONCLUSION: Ultimately, the results of this study have revealed five compounds to possess the potential to serve as inhibitors of pduC of AIEC. However, experimental studies are still needed to validate the findings of this study.PMID:38659270 | DOI:10.2174/0115734064295521240227052730 (Source: Medicinal Chemistry)
Source: Medicinal Chemistry - April 25, 2024 Category: Chemistry Authors: Mohammed Bourhia Md Eram Hosen Md Omar Faruqe Faria Tasnim Mohamed Taibi Amine Elbouzidi Yousef A Bin Jardan Samir Ibenmoussa Abdeslam Asehraou Source Type: research
Computational Chemistry: Prediction of Compound Accessibility of Targeted Synthesized Compounds
CONCLUSION: Density functional theory (DFT) investigations emphasize the exceptional stability of complex 3d, which possesses the biggest energy gap and the lowest softness. In contrast, compound 3h demonstrates poorer stability among the tested compounds, characterized by the lowest energy gap and the highest softness values. These findings are further substantiated by absolute energy calculations. The negligible energy difference in compound 3h indicates an increased transfer of electric charge within the molecule, which is associated with its enhanced biological effectiveness. The drug-likeness of the compounds is confi...
Source: Medicinal Chemistry - April 19, 2024 Category: Chemistry Authors: Visagamoorthy Babu Sumeer Ahmed A K Rahiman Sarkar M A Kawsar Malika Berredjem Ajmal R Bhat K Anver Basha Source Type: research
Computational Chemistry: Prediction of Compound Accessibility of Targeted Synthesized Compounds
CONCLUSION: Density functional theory (DFT) investigations emphasize the exceptional stability of complex 3d, which possesses the biggest energy gap and the lowest softness. In contrast, compound 3h demonstrates poorer stability among the tested compounds, characterized by the lowest energy gap and the highest softness values. These findings are further substantiated by absolute energy calculations. The negligible energy difference in compound 3h indicates an increased transfer of electric charge within the molecule, which is associated with its enhanced biological effectiveness. The drug-likeness of the compounds is confi...
Source: Medicinal Chemistry - April 19, 2024 Category: Chemistry Authors: Visagamoorthy Babu Sumeer Ahmed A K Rahiman Sarkar M A Kawsar Malika Berredjem Ajmal R Bhat K Anver Basha Source Type: research
Antimicrobial Potential of Polyphenols: An Update on Alternative for Combating Antimicrobial Resistance
Med Chem. 2024 Apr 5. doi: 10.2174/0115734064277579240328142639. Online ahead of print.ABSTRACTThe last decade has encountered an increasing demand for plant-based natural antibiotics. This demand has led to more research-based investigations for natural sources of antimicrobial agents and published reports demonstrating that plant extracts are widely applied in modern medicine, reporting potential activity that may be due to polyphenol compounds. Interestingly, the effects of polyphenols on the sensitivity of bacteria to antibiotics have not been well-studied. Hence, the current review encompasses the prospective applicat...
Source: Medicinal Chemistry - April 8, 2024 Category: Chemistry Authors: Alok Sharma None Anurag Jasleen Kaur Anuradh Kesharwani Vipan Parihar Source Type: research
A Computational Study of Green Tea Extracts and their Derivatives as Potential Inhibitors for Squalene Monooxygenase
CONCLUSION: The results obtained from this study suggest that green tea polyphenols have the potential for inhibition of squalene monooxygenase, except for theasinensin A.PMID:38584555 | DOI:10.2174/0115734064280290240211170037 (Source: Medicinal Chemistry)
Source: Medicinal Chemistry - April 8, 2024 Category: Chemistry Authors: Kabelo Phuti Mokgopa Kevin A Lobb Tendamudzimu Tshiwawa Source Type: research
Antimicrobial Potential of Polyphenols: An Update on Alternative for Combating Antimicrobial Resistance
Med Chem. 2024 Apr 5. doi: 10.2174/0115734064277579240328142639. Online ahead of print.ABSTRACTThe last decade has encountered an increasing demand for plant-based natural antibiotics. This demand has led to more research-based investigations for natural sources of antimicrobial agents and published reports demonstrating that plant extracts are widely applied in modern medicine, reporting potential activity that may be due to polyphenol compounds. Interestingly, the effects of polyphenols on the sensitivity of bacteria to antibiotics have not been well-studied. Hence, the current review encompasses the prospective applicat...
Source: Medicinal Chemistry - April 8, 2024 Category: Chemistry Authors: Alok Sharma None Anurag Jasleen Kaur Anuradh Kesharwani Vipan Parihar Source Type: research
A Computational Study of Green Tea Extracts and their Derivatives as Potential Inhibitors for Squalene Monooxygenase
CONCLUSION: The results obtained from this study suggest that green tea polyphenols have the potential for inhibition of squalene monooxygenase, except for theasinensin A.PMID:38584555 | DOI:10.2174/0115734064280290240211170037 (Source: Medicinal Chemistry)
Source: Medicinal Chemistry - April 8, 2024 Category: Chemistry Authors: Kabelo Phuti Mokgopa Kevin A Lobb Tendamudzimu Tshiwawa Source Type: research
Antimicrobial Potential of Polyphenols: An Update on Alternative for Combating Antimicrobial Resistance
Med Chem. 2024 Apr 5. doi: 10.2174/0115734064277579240328142639. Online ahead of print.ABSTRACTThe last decade has encountered an increasing demand for plant-based natural antibiotics. This demand has led to more research-based investigations for natural sources of antimicrobial agents and published reports demonstrating that plant extracts are widely applied in modern medicine, reporting potential activity that may be due to polyphenol compounds. Interestingly, the effects of polyphenols on the sensitivity of bacteria to antibiotics have not been well-studied. Hence, the current review encompasses the prospective applicat...
Source: Medicinal Chemistry - April 8, 2024 Category: Chemistry Authors: Alok Sharma None Anurag Jasleen Kaur Anuradh Kesharwani Vipan Parihar Source Type: research
A Computational Study of Green Tea Extracts and their Derivatives as Potential Inhibitors for Squalene Monooxygenase
CONCLUSION: The results obtained from this study suggest that green tea polyphenols have the potential for inhibition of squalene monooxygenase, except for theasinensin A.PMID:38584555 | DOI:10.2174/0115734064280290240211170037 (Source: Medicinal Chemistry)
Source: Medicinal Chemistry - April 8, 2024 Category: Chemistry Authors: Kabelo Phuti Mokgopa Kevin A Lobb Tendamudzimu Tshiwawa Source Type: research
Antimicrobial Potential of Polyphenols: An Update on Alternative for Combating Antimicrobial Resistance
Med Chem. 2024 Apr 5. doi: 10.2174/0115734064277579240328142639. Online ahead of print.ABSTRACTThe last decade has encountered an increasing demand for plant-based natural antibiotics. This demand has led to more research-based investigations for natural sources of antimicrobial agents and published reports demonstrating that plant extracts are widely applied in modern medicine, reporting potential activity that may be due to polyphenol compounds. Interestingly, the effects of polyphenols on the sensitivity of bacteria to antibiotics have not been well-studied. Hence, the current review encompasses the prospective applicat...
Source: Medicinal Chemistry - April 8, 2024 Category: Chemistry Authors: Alok Sharma None Anurag Jasleen Kaur Anuradh Kesharwani Vipan Parihar Source Type: research
A Computational Study of Green Tea Extracts and their Derivatives as Potential Inhibitors for Squalene Monooxygenase
CONCLUSION: The results obtained from this study suggest that green tea polyphenols have the potential for inhibition of squalene monooxygenase, except for theasinensin A.PMID:38584555 | DOI:10.2174/0115734064280290240211170037 (Source: Medicinal Chemistry)
Source: Medicinal Chemistry - April 8, 2024 Category: Chemistry Authors: Kabelo Phuti Mokgopa Kevin A Lobb Tendamudzimu Tshiwawa Source Type: research
Antimicrobial Potential of Polyphenols: An Update on Alternative for Combating Antimicrobial Resistance
Med Chem. 2024 Apr 5. doi: 10.2174/0115734064277579240328142639. Online ahead of print.ABSTRACTThe last decade has encountered an increasing demand for plant-based natural antibiotics. This demand has led to more research-based investigations for natural sources of antimicrobial agents and published reports demonstrating that plant extracts are widely applied in modern medicine, reporting potential activity that may be due to polyphenol compounds. Interestingly, the effects of polyphenols on the sensitivity of bacteria to antibiotics have not been well-studied. Hence, the current review encompasses the prospective applicat...
Source: Medicinal Chemistry - April 8, 2024 Category: Chemistry Authors: Alok Sharma None Anurag Jasleen Kaur Anuradh Kesharwani Vipan Parihar Source Type: research
A Computational Study of Green Tea Extracts and their Derivatives as Potential Inhibitors for Squalene Monooxygenase
CONCLUSION: The results obtained from this study suggest that green tea polyphenols have the potential for inhibition of squalene monooxygenase, except for theasinensin A.PMID:38584555 | DOI:10.2174/0115734064280290240211170037 (Source: Medicinal Chemistry)
Source: Medicinal Chemistry - April 8, 2024 Category: Chemistry Authors: Kabelo Phuti Mokgopa Kevin A Lobb Tendamudzimu Tshiwawa Source Type: research
Antimicrobial Potential of Polyphenols: An Update on Alternative for Combating Antimicrobial Resistance
Med Chem. 2024 Apr 5. doi: 10.2174/0115734064277579240328142639. Online ahead of print.ABSTRACTThe last decade has encountered an increasing demand for plant-based natural antibiotics. This demand has led to more research-based investigations for natural sources of antimicrobial agents and published reports demonstrating that plant extracts are widely applied in modern medicine, reporting potential activity that may be due to polyphenol compounds. Interestingly, the effects of polyphenols on the sensitivity of bacteria to antibiotics have not been well-studied. Hence, the current review encompasses the prospective applicat...
Source: Medicinal Chemistry - April 8, 2024 Category: Chemistry Authors: Alok Sharma None Anurag Jasleen Kaur Anuradh Kesharwani Vipan Parihar Source Type: research
A Computational Study of Green Tea Extracts and their Derivatives as Potential Inhibitors for Squalene Monooxygenase
CONCLUSION: The results obtained from this study suggest that green tea polyphenols have the potential for inhibition of squalene monooxygenase, except for theasinensin A.PMID:38584555 | DOI:10.2174/0115734064280290240211170037 (Source: Medicinal Chemistry)
Source: Medicinal Chemistry - April 8, 2024 Category: Chemistry Authors: Kabelo Phuti Mokgopa Kevin A Lobb Tendamudzimu Tshiwawa Source Type: research
