Synthesis, in vitro Anticancer Activity Evaluation and Docking Investigations of Novel Aromatic Chalcones
Vankadari Srinivasarao,
Chaturvedula Radha Krishna,
Macha Ramesh,
Tigulla Parthasarathy
Issue:
Volume 1, Issue 1, February 2013
Pages:
1-7
Published:
20 February 2013
Abstract: In a wide search program toward new anticancer agents, a series of Aromatic chalcones have been synthesized by condensing benzaldehyde derivatives with arylmethylcetone in potassium hydroxide ethanol according to the Claisen-Schmidth condensation at room temperature. The synthetic chalcones have been determined by IR spectroscopy and 1H-NMR spectroscopy. The anticancer activitiesof the compounds were evaluated against in vitro using human tumour cell lines of Jurkat and HL-60 cell lines and MTT assay. From the series, two compounds(4,15) exhibited potent growth inhibi-tory effects against the proliferation of human T-lymphocyte leukemia compared to the parent unsubstitutedchalcone. The result shows that the electron donating groups moiety may increase anticancer activity. Aromatic chalcones with hydroxyl group,methoxy group on A ring at positions 2 or 3 are considered as lead compounds for generation of new potential anticancer drugs in future.Similarly,the compounds(7,12) exhibited potent growth inhibitory effects against HL-60 cells. The results are very encouraging. Future studies include testing the compounds in vivo with and without radiation. Docking studies with 1NKP have shown that the compound 17 has highest IC50 against human leukemia cells (HL-60).
Abstract: In a wide search program toward new anticancer agents, a series of Aromatic chalcones have been synthesized by condensing benzaldehyde derivatives with arylmethylcetone in potassium hydroxide ethanol according to the Claisen-Schmidth condensation at room temperature. The synthetic chalcones have been determined by IR spectroscopy and 1H-NMR spectro...
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QSAR, Docking and Invitro Antioxidant Activity Study of Novel Chromone Derivatives
Shanthi V.,
Ramesh M.,
Srimai V.,
Srinivas P.,
Parthasarathy T.
Issue:
Volume 1, Issue 1, February 2013
Pages:
8-17
Published:
20 February 2013
Abstract: Invitro antioxidant activity and Molecular modeling studies of nine chromone derivatives were carried out to optimize their inhibitory activity against Poly [ADP-ribose] polymerase. The biological activities of these analogs were correlated to different molecular properties. The AM1and PM3 semiempirical methods are used to estimate vertical ioniza-tion potentials (IPv’s), electron affinity (EA), electronegativity (χ), hardness (η), softness (S), electrophilic index (ω), parti-tion coefficient (LogP), hydration energy (HE), ionization potential (IP) and charges. The different modeled equations by regression analysis are proposed. The leave-one-out cross-validation method is used to estimate the predictive power of final QSAR equations. The hardness (η) was found to be indicative molecular property by regression analysis. Docking studies of chromone with Poly [ADP-ribose] polymerase are also made to support the finding of QSAR studies. Analysis of results of both QSAR and Docking studies suggested that remarkable inhibitory activity is exhibited by molecule 3 .The hydrogen bond interactions along with hydrophobic and electrostatic interactions are mapped to confirm their potencies.
Abstract: Invitro antioxidant activity and Molecular modeling studies of nine chromone derivatives were carried out to optimize their inhibitory activity against Poly [ADP-ribose] polymerase. The biological activities of these analogs were correlated to different molecular properties. The AM1and PM3 semiempirical methods are used to estimate vertical ioniza-...
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