18323-58-5Relevant articles and documents
A new class of pure estrogen alpha receptor antagonists; design, synthesis and in-vitro screening
Jameera Begam, Akbar John,Basheer, Katike Ahamed,Jubie, Selvaraj,Jupudi, Srikanth,Azam, Mohammed Afzal,Dhanabal, Palanisamy
, p. 66 - 81 (2019/01/04)
Background: In view of the estrogenic receptor inhibitory properties of coumarin nucleus, long chain nature of fatty acid and anti-breast cancer activity of fatty acids, it was proposed to attach long chain fatty acids at 3rd,4th and 7th position of coumarin nucleus and evaluate for their anti-breast cancer activity through suitable in-vitro methods. Methods: The present study focuses a library of fatty acid coumarin conjugates as ligands to the ligand-binding domain of the human estrogen receptor α (PDB ID 2IOG) and their binding affinities using GLIDE module of Schrodinger after ascertaining their drug-likeness with QIKPROP. The compounds LNAC 8, SAC 1 and OAC 5 are the best hits based on their docking scores as well as the Prime MM-GBSA free energy of binding. Based on the in-silico results and synthetic feasibility the compounds SAC 1 PAC 1 and OAC 1 are synthesized, characterized and investigated for their time interval growth inhibitory effect on MCF-7 which is an ER positive breast cancer cell lines. Results: SAC 1, showed better in vitro growth inhibitory effect in sub micromolar range as compared to Tamoxifen, a standard estrogen receptor modulator. Conclusion: Conclusively, in silico molecular docking studies have been very useful in predicting the pharmacokinetic profiles and the binding affinities of new hits before a detailed preclinical and clinical evaluation.
Lipase catalysed substituted coumarins with antioxidant activity
Kidwai, Mazaahir,Poddar, Vaishali,Poddar, Roona
experimental part, p. 715 - 720 (2011/07/08)
Lipase has been employed as a green catalyst to esterify 7- and 6-hydroxy-4-methyl-coumarin with different fatty and acetic acid. The esterified coumarins have been evaluated for antioxidant activities using DPPH and ABTS assays, among them 3a and 5a are known as active antioxidants.