Design, synthesis of 6-substituted-4-hydroxy-1-(2-substitutedalicyclicamino) acetyl)quinolin-2(1H)-one derivatives and evaluation of their in vitro anticancer activity
By: Soares, Alisha Dream
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Contributor(s): Desai, Shivalingrao N. Mamle.
Publisher: New Delhi CSIR 2019Edition: Vol.58(B), Oct.Description: 1162-1172p.Subject(s): GENERAL CHEMISTRYOnline resources: Click here
In:
Indian journal of chemistry (Section B)Summary: The current research work deals with the design, synthesis of 6-substituted-4-hydroxy-1-(2-substitutedalicyclicamino)acetyl)quinolin-2(1H)-one derivatives and evaluation of their in vitro anticancer activity. Molecular docking studies of the title compounds have been carried out using Molegro Virtual Docker (MVD-2013, 6.0) software. The compounds exhibited well conserved hydrogen bonds with one or more amino acid residues in the active pocket of EGFRK tyrosine kinase domain (PDB ID: 1m17). The MolDock Score of compound (IIIc-3) is (−96.01) which is comparable to that of the standard ligand (−123.35) and Imatinib (−111.68). Most of the novel analogues of quinolin-2-one exhibit better affinity towards EGFRK protein than linomide (−81.17). These results show that the novel quinoline-2-one derivatives possess higher affinity than linomide towards the active site of the target protein EGFRK. The compounds have been synthesized using appropriate synthetic route. Some of the synthesized compounds have been characterized by UV, IR, 1H and 13C NMR and mass spectral data. Ten derivatives that have better MolDock score have been tested for their in vitro anticancer activity using KB (Oral cancer) cell line. Compound (IIIc-3) is found to be the most cytotoxic as compared to the other synthesized derivatives, with IC50 values of 1.07 µM/mL against KB(Oral cancer)cell line.
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Articles Abstract Database
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School of Pharmacy Archieval Section | Not for loan | 2022-0345 |
The current research work deals with the design, synthesis of 6-substituted-4-hydroxy-1-(2-substitutedalicyclicamino)acetyl)quinolin-2(1H)-one derivatives and evaluation of their in vitro anticancer activity. Molecular docking studies of the title compounds have been carried out using Molegro Virtual Docker (MVD-2013, 6.0) software. The compounds exhibited well conserved hydrogen bonds with one or more amino acid residues in the active pocket of EGFRK tyrosine kinase domain (PDB ID: 1m17). The MolDock Score of compound (IIIc-3) is (−96.01) which is comparable to that of the standard ligand (−123.35) and Imatinib (−111.68). Most of the novel analogues of quinolin-2-one exhibit better affinity towards EGFRK protein than linomide (−81.17). These results show that the novel quinoline-2-one derivatives possess higher affinity than linomide towards the active site of the target protein EGFRK. The compounds have been synthesized using appropriate synthetic route. Some of the synthesized compounds have been characterized by UV, IR, 1H and 13C NMR and mass spectral data. Ten derivatives that have better MolDock score have been tested for their in vitro anticancer activity using KB (Oral cancer) cell line. Compound (IIIc-3) is found to be the most cytotoxic as compared to the other synthesized derivatives, with IC50 values of 1.07 µM/mL against KB(Oral cancer)cell line.
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