Synthesis, docking and ADMET studies of novel chalcone triazoles for anti-cancer and anti-diabetic activity

Synthesis, antimicrobial evaluation, and molecular docking studies of novel chromone based 1,2,3-triazoles

“…Recently, regioselectivity of the reaction was improved by Sharpless and Meldal by introducing Cu(I) catalyzed alkyne-azide 1,3-dipolar cycloaddition (CuAAC) to afford 1,4-disubstituted 1,2,3-triazole [19,20]. The triazole nucleus is an important pharmacophore appearing extensively in various types of pharmaceutical agents and bioactive molecules, such as anti-HIV [21], antitubercular [22], anti-inflammatory, anticancer [23], antimicrobial [24], anticonvulsant [25], V. S. Dofe et al antimalarial [26], analgesic [27], antiviral [28], antidiabetic [29], antimycobacterial [30], and anticholinesterase [31]. The biological activity of these compounds is enhanced probably due to their high aromatic stabilisation, high dipole moment, and high bonding capacity.…”

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“…After that, alkali was added drop by drop until product was Separated [9][10][11][12][13][14][15] . Detailed analysis of 1H NMR, IR, and Mass spectral data of all compound has been describe in this paper.…”

“…1H NMR Spectrum of compound 3A displays two signals i.e. doublet at δ =7.4 ppm which is attributed to (-CH=CH) and also multiplets of ten aromatic proton at δ 7.5-8ppm [12][13][14][15] . Mass spectrum revealed a molecular ion peak at m/z 243 (m+1).…”

“…Experimental Procedure: Synthesis of (2E)-3-(substituted phenyl)-1-phenylprop-2-en-1-one (3A -3 J): Derivatives were synthesized by condensing acetophenone with appropriate substituted aromatic aldehydes according to Claisen-Schmidt condensation [9][10][11][12][13][14][15] . To a solution of acetophenone (0.01 mole) in ethanol (100ml), there was added solution of aromatic aldehyde (0.01 mole) in ethanol (100) (if doesn't dissolve warm it), it was stirred for 2-3 minutes.…”

Recent Advances in chemistry and pharmacology of 2-methoxyestradiol: An anticancer investigational drug

“…Hence, it can be suggested that the basic interaction of 2ME 2 is through 2-methoxy-3-hydroxyphenyl unit of ring A with tubulin protein which also corresponds the case of ring C of colchicine and ring B of combretastatin A4. Further, our molecular docking studies exhibit that 2ME 2 occupies exactly the same binding site of β-tubulin that is occupied by colchicine [161,162]. Table 3 shows that 2ME 2 possesses all the residual amino acids that are present in tubulin-colchicine binding site.…”