التفاصيل البيبلوغرافية
| العنوان: |
Simulation of vitamin C derivatives as antioxidant using molecular docking. |
| المؤلفون: |
Kartika, Irma Ratna, Nurjayadi, Muktiningsih, Dianhar, Hanhan, Kurniadewi, Fera, Ernawati, Teni, Lotulung, Puspa Dewi N., Sadikin, Mohamad, Jusman, Sri Widia A. |
| المصدر: |
AIP Conference Proceedings; 2024, Vol. 2982 Issue 1, p1-6, 6p |
| مصطلحات موضوعية: |
VITAMIN C, OCTANOIC acid, NADPH oxidase, ANTIOXIDANTS, OXIDATIVE stress, TRETINOIN, MOLECULAR docking |
| مستخلص: |
Vitamin C (ascorbic acid) plays an exogenous antioxidant to protect biomolecules against cellular redox-reactive species generation, including ROS, that is involved in the development of oxidative stress-related diseases. Therefore, some ascorbic acid studies have concentrated on its ROS scavenging activity. We designed a combination of vitamin C and octanoic acid as vitamin C derivatives to evaluate their antioxidant potential in silico study using molecular docking. Compound 1 demonstrated the receptor-ligand interaction in Lipoxygenase (LO) than Zileuton-ZIL with its lower binding free energy (ΔG) and inhibition constant (Ki) value. Meanwhile, 6 exhibited lower Gibs energy (ΔG) and inhibition constant (Ki) in NADPH oxidase (NO) receptor than Dextromethorphan-DEX. The results add to the evidence supporting antioxidant activities of 1 and 6 in two receptors (LO and NO, respectively) via ROS generation. Thus, further research is warranted into their efficiency in reducing oxidative stress for possible commercial antioxidants. [ABSTRACT FROM AUTHOR] |
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| قاعدة البيانات: |
Complementary Index |
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