ArticleInternational journal of molecular sciences2023
Synthesis, Molecular Docking, and Biological Evaluation of Novel Anthranilic Acid Hybrid and Its Diamides as Antispasmodics.
Article in International journal of molecular sciences, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 19 papers.
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Who cites it
19 citing papers in PubMed.
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- Phenolic Content, Antioxidant Activity and In Vitro Anti-Inflammatory and Antitumor Potential of Selected Bulgarian Propolis Samples.Biomedicines · 2025Article
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- Synthesis, biological evaluation, and theoretical studies of 2-amino-3-cyano-4- (L-phenylalaninyl)quinolines: anticancer potential and EGFR inhibition.Turkish journal of chemistry · 2025Article
- Bio-computational modeling, POM analysis and molecular dynamic simulation for novel synthetic quinolone and benzo[d][1,3]oxazine candidates as antimicrobial inhibitors.Scientific reports · 2024Article
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- Spasmolytic Activity and Anti-Inflammatory Effect of Novel Mebeverine Derivatives.Biomedicines · 2024Article
- Spectral Characteristics, In Silico Perspectives, Density Functional Theory (DFT), and Therapeutic Potential of Green-Extracted Phycocyanin fromInternational journal of molecular sciences · 2024Article
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- 2-Amino-Molecules (Basel, Switzerland) · 2024Article
- Spasmolytic Activity of 1,3-Disubstituted 3,4-Dihydroisoquinolines.Biomedicines · 2024Article
- Metabolic Profile of Leaves and Pulp ofPlants (Basel, Switzerland) · 2024Article
- Utilizing Ni(II) complex for metal drug-gel particles in cervical cancer treatment and designing novel drugs through machine learning methods.Scientific reports · 2024Article
- Novel Anthranilic Acid Hybrids-An Alternative Weapon against Inflammatory Diseases.Pharmaceuticals (Basel, Switzerland) · 2023Article
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Authors and funding
11 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The present article focuses on the synthesis and biological evaluation of a novel anthranilic acid hybrid and its diamides as antispasmodics. Methods: Due to the predicted in silico methods spasmolytic activity, we synthesized a hybrid molecule of anthranilic acid and 2-(3-chlorophenyl)ethylamine. The obtained hybrid was then applied in acylation with different acyl chlorides. Using in silico analysis, pharmacodynamic profiles of the compounds were predicted. A thorough biological evaluation of the compounds was conducted assessing their in vitro antimicrobial, cytotoxic, anti-inflammatory activity, and ex vivo spasmolytic activity. Density functional theory (DFT) calculation, including geometry optimization, molecular electrostatic potential (MEP) surface, and HOMO-LUMO analysis for the synthesized compounds was conducted using the B3LYP/6-311G(d,p) method to explore the electronic behavior, reactive regions, and stability and chemical reactivity of the compounds. Furthermore, molecular docking simulation along with viscosity measurement indicated that the newly synthesized compounds interact with DNA via groove binding mode. The obtained results from all the experiments demonstrate that the hybrid molecule and its diamides inherit spasmolytic, antimicrobial, and anti-inflammatory capabilities, making them excellent candidates for future medications.
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