Spectroscopic and Molecular Docking Investigation on the Interaction of Cumin Components with Plasma Protein: Assessment of the Comparative Interactions of Aldehyde and Alcohol with Human Serum Albumin
Abstract
:1. Introduction
2. Results and Discussions
2.1. UV-Visible Absorption Measurements
2.2. Intrinsic Fluorescence Measurements
2.3. Competitive Binding Site Experiments
2.4. Circular Dichroism Measurements
2.5. Molecular Docking
3. Materials and Methods
3.1. Materials
3.2. UV-Visible Spectroscopy
3.3. Fluorescence Spectroscopy
3.4. CD Spectroscopy
3.5. Molecular Docking
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Acknowledgments
Conflicts of Interest
References
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Temperature (°C) | Modified Stern-Volmer Quenching Constants | Lineweaver-Burk Constants | ||
---|---|---|---|---|
KQ (M−1) | R2 | KLB (M−1) | R2 | |
25 | 8.3 ± 0.04 × 103 | 0.9969 | 8.3 ± 0.04 × 103 | 0.9969 |
35 | 6.9 ± 0.02 × 103 | 0.9804 | 7.0 ± 0.02 × 103 | 0.9804 |
45 | 5.6 ± 0.02 × 103 | 0.9985 | 5.5 ± 0.02 × 103 | 0.9985 |
Temperature (°C) | Modified Stern-Volmer Quenching Constants | Lineweaver-Burk Constants | ||
---|---|---|---|---|
KQ (M−1) | R2 | KLB (M−1) | R2 | |
25 | 9.4 ± 0.42 × 102 | 0.9848 | 9.4 ± 0.42 × 102 | 0.9848 |
35 | 7.5 ± 0.38 × 102 | 0.9868 | 7.6 ± 0.38 × 102 | 0.9868 |
45 | 6.3 ± 0.29 × 102 | 0.9905 | 6.3 ± 0.29 × 102 | 0.9905 |
T (K) | ∆G (KJM−1) | ∆H (KJM−1) | ∆S (JM−1K−1) |
---|---|---|---|
298 | −22.4 ± 0.03 | −16.0 ± 0.10 | 21.6 ± 0.11 |
308 | −22.6 ± 0.05 | ||
318 | −22.8 ± 0.01 |
T (K) | ∆G (KJM−1) | ∆H (KJM−1) | ∆S (JM−1K−1) |
---|---|---|---|
298 | −16.9 ± 0.02 | −15.9 ± 0.04 | 3.3 ± 0.03 |
308 | −16.9 ± 0.01 | ||
318 | −17.0 ± 0.01 |
Site-Marker | Lineweaver-Burk Constants (M−1) | |
---|---|---|
Cuminaldehyde | Cuminol | |
Warfarin | 4.1 ± 0.08 × 103 | 2.3 ± 0.06 × 102 |
Ibuprofen | 7.8 ± 0.04 × 103 | 6.0 ± 0.07 × 102 |
Concentration of Ligands (µM) | % α-Helical Contents | |
---|---|---|
Cuminaldehyde | Cuminol | |
0 | 67.5 ± 0.11 | 67.5 ± 0.11 |
50 | 65.7 ± 0.19 | 66.6 ± 0.09 |
100 | 62.6 ± 0.17 | 64.9 ± 0.12 |
200 | 60.5 ± 0.21 | 63.7 ± 0.13 |
300 | 58.1 ± 0.10 | 62.7 ± 0.08 |
500 | 56.2 ± 0.12 | 61.6 ± 0.09 |
1000 | - | 59.5 ± 0.07 |
1500 | - | 56.9 ± 0.08 |
2000 | - | 54.0 ± 0.10 |
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Ali, M.S.; Rehman, M.T.; Al-Lohedan, H.; AlAjmi, M.F. Spectroscopic and Molecular Docking Investigation on the Interaction of Cumin Components with Plasma Protein: Assessment of the Comparative Interactions of Aldehyde and Alcohol with Human Serum Albumin. Int. J. Mol. Sci. 2022, 23, 4078. https://doi.org/10.3390/ijms23084078
Ali MS, Rehman MT, Al-Lohedan H, AlAjmi MF. Spectroscopic and Molecular Docking Investigation on the Interaction of Cumin Components with Plasma Protein: Assessment of the Comparative Interactions of Aldehyde and Alcohol with Human Serum Albumin. International Journal of Molecular Sciences. 2022; 23(8):4078. https://doi.org/10.3390/ijms23084078
Chicago/Turabian StyleAli, Mohd Sajid, Md Tabish Rehman, Hamad Al-Lohedan, and Mohamed Fahad AlAjmi. 2022. "Spectroscopic and Molecular Docking Investigation on the Interaction of Cumin Components with Plasma Protein: Assessment of the Comparative Interactions of Aldehyde and Alcohol with Human Serum Albumin" International Journal of Molecular Sciences 23, no. 8: 4078. https://doi.org/10.3390/ijms23084078