ArticleJournal of molecular modeling2025
Coumarin benzamide scaffold as potential 5-HT
Article in Journal of molecular modeling, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
2 citing papers in PubMed.
- Structural insights into the structure-activity relationships of flavonoids targeting WSSV and LvGSTMu.Molecular diversity · 2026Article
- Molecular and structural insights into carvacrol and thymol alkylated derivatives targeting WSSV and AHPND-causing Vibrio parahaemolyticus.Archives of microbiology · 2026Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
9 authors.
Funding
Abstract
contextThis study investigates the interaction of synthetic coumarin benzamides (CmB1-10) obtained from the literature with the 5-HT2CR serotonergic receptor and the carbonic anhydrase II (CA-II) enzyme, with potential pharmacological applications in anxiety disorders. CmB is a type of drug that has been shown to affect the 5-HT2CR receptor. This receptor is involved in mood, thinking, and muscle control. CmB has similar effects to other known antagonists. In addition, the dimethylated derivatives (3,4-CH3 and 3,5-CH3)-CmB2 and CmB4-were more effective as enzyme inhibitors, according to the literature. Structural analyses revealed that the CmB2 and CmB4 derivatives exhibit a higher nucleophilic character due to the electron-donating properties of the dimethyl substituents. The dimethylated derivatives exhibited ideal pharmacokinetic properties, including an apparent permeability (Papp, A→B 1.1 × 10⁻
methodsThis study utilized the integration of molecular modeling techniques at quantum levels (DFT/B3LYP/6-311++G(d,p)) using the Gaussian 09 program to investigate structural/electronic properties and classical levels such as molecular docking and molecular dynamics, using the AutoDockVina™ and GROMACS® programs respectively, to investigate the interaction between meanings and biological targets (5-HT2CR and CA-II). DMPK was used to investigate the bioavailability and metabolism of the drugs from the results.
Indexed as
Identifiers
41389105What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.