AI Article Synopsis
- A new series of derivatives based on 2-methoxy-4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol were created and tested for their ability to inhibit human MAO enzymes.
- Most compounds selectively inhibited hMAO-A, with compound 7 being highly effective (Ki = 0.06 ± 0.003 μM), surpassing the standard drug Moclobemide.
- Molecular docking simulations were conducted to explore the interactions that contribute to the compounds' selectivity and potency against MAO enzymes.
Article Abstract
A series of new 2-methoxy-4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenolderivatives, 4-13, were synthesized and tested for their human MAO inhibitory activity. All the compounds were found to be selective and reversible toward hMAO-A except 4, a selective inhibitor of hMAO-B and 12, a nonselective inhibitor. Compound 7 was found to be a potent inhibitor of hMAO-A with Ki = 0.06 ± 0.003 μM and was having selectivity index of (SI = 1.02 × 10(-5)). It was found to be better than standard drug, Moclobemide (hMAO-A with Ki = 0.11 ± 0.01 μM) with selectivity index of SI = 0.049. Molecular docking simulation was carried out to understand the crucial interactions responsible for selectivity and potency.
Download full-text PDF |
Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4716609 | PMC |
| http://dx.doi.org/10.1021/acsmedchemlett.5b00326 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Want AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!