Triterpenoids from Ganoderma gibbosum: A Class of Sensitizers of FLC-Resistant Candida albicans to Fluconazole.
De-Bing PuXiaoning LiJing LinRuihan ZhangTing LuoYuan WangJunbo GaoMuhammad Aurang ZebXingjie ZhangXiaoli LiRuirui WangWei-Lie XiaoPublished in: Journal of natural products (2019)
Fungal drug resistance is a major health threat, and reports of clinical resistance worldwide are becoming increasingly common. In a research program to discover new molecules to help overcome this problem, 14 new lanostane-type triterpenoids, gibbosicolids A-G (2-8) and gibbosic acids I-O (9-15), were isolated from the fruiting bodies of Ganoderma gibbosum, along with seven known triterpenoid derivatives. These compounds featured high levels of oxidation, epimerization, and γ-lactonization. Structures were elucidated by comprehensive spectroscopic analyses and HRMS data. Absolute configurations were assigned based on quantum chemical calculations, including calculated chemical shift with DP4+ analysis, coupling constants, and electronic circular dichroism (ECD) methods. Results show that the calculated NMR with DP4+ analysis could not reliably establish the overall spatial configuration of molecules possessing independent and free-rotational stereoclusters. All these compounds significantly increased the sensitivity of fluconazole (FLC)-resistant C. albicans to FLC. Compounds 2, 5, 9, 12, 16, 17, and 21 exhibited strong antifungal activity against FLC-resistant C. albicans when combined with FLC, with MIC50 values ranging from 3.8 to 8.8 μg/mL.
Keyphrases
- candida albicans
- biofilm formation
- healthcare
- high resolution
- public health
- molecular dynamics
- mental health
- emergency department
- molecular docking
- density functional theory
- quality improvement
- machine learning
- escherichia coli
- mass spectrometry
- quantum dots
- molecular dynamics simulations
- ionic liquid
- artificial intelligence
- cystic fibrosis
- room temperature
- adverse drug
- monte carlo
- solar cells