Publication Type : Journal Article
Publisher : Journal of Biological and Chemical Research, 35(2), 996-1008.
Source : https://www.researchgate.net/publication/331383469_Synthesis_NLO_and_Theoretical_modeling_of_the_Anti-inflammatory_potential_of_six_DibenzylideneCyclopentanone_analogues_of_Curcumin
Url : http://jbcr.co.in/Current_Issue/Vol_35_2_Part_D_Jul_Dec_2018/45.%20MS_JBCR_final%20996-1008.pdf
Campus : Bengaluru
School : School of Engineering
Center : Amrita Innovation & Research
Department : Chemistry
Verified : Yes
Year : 2018
Abstract : Cyclopentanone analogues specifically have been noted as potential leadsfor anti-inflammatory activity with promising nonlinear optical properties. Six novelcyclopentanoneanalogs were synthesized and extensively characterized using Fourier Transform-Infrared spectroscopy (FT-IR), UV-Vis spectroscopy, NMR and Mass spectrometry, and their NonLinear Optical (NLO) properties were evaluated.A 'theoretical' study via ab initioDFT simulations was undertaken that demonstrated the significant correlation to the experimental findings with respect to both structural conformation andIR vibrational modes.In conclusion, the in silico anti-inflammatory activity was explored to predict their drug potential as anti-inflammatory agents via the molecular docking studies of analogous cyclopentanone derivatives,pursuing the mechanism of Mammalian Thioredoxin reductase. The corresponding qualitative structure activity relationship was also elucidated.
Cite this Research Publication : Manohar, Sai & Chakravarthy, Pavan & Belliraj, Siva Kumar. (2018). Synthesis, NLO and Theoretical modeling of the Anti-inflammatory potential of six DibenzylideneCyclopentanone analogues of Curcumin. Journal of Biological Research. Vol 35. 996-1008.