Chalcone can be synthesized using some methods, but conventional Claisen-Schmidt condensation is still the best method. The objevtives of this study were to synthesize some chalcone derivatives using conventional Claisen-Schmidt condensation by reacting 2-hydroxyacetophenone and some substituted benzaldehydes using NaOH 40%, followed by evaluating their cytotoxicity in vitro against HeLa cancer cells line using MTT method and analyzing molecular docking on p53 and MDM2 interaction. Cytotoxicity test exhibited that 2,5-dimethoxy-2´hydroxychalcone and 4-chloro-2'-hydroxychalcone gave very low IC 50 , but both did not show potential apoptosis activity, while in docking analysis 4-chloro-2'-hydroxychalcone showing the best results.

A new compound belonging to a dihydrotetrazolopyrimidine derivative, that is, ethyl 5-methyl-7-(4-morpholinophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate, was successfully synthesized using a Biginelli reaction between 4-morpholinobenzaldehyde, ethyl acetoacetate, and 5-aminotetrazole with p-toluenesulfonic acid (pTSA) as a catalyst in ethanol under reflux. The molecular structure of the title compound was characterized on the basis of spectroscopic evidence, using FTIR, HRESI-MS, 1H- and 13C-NMR, and 2D NMR.

A new compound (E)-3-[3-(4-morpholinophenyl)acryloyl]-2H-chromen-2-one, a coumarin based chalcone derivative, has been successfully synthesized employing a molecular hybridization method through the reaction between 3-acetylcoumarin and 4-morpholinobenzaldehyde using a Claisen–Schmidt reaction using pTSA as a catalyst. The structure of the title compound was established using spectroscopic data FTIR, HRESI-MS, 1H- and 13C-NMR. The anticancer activity against breast cancer cells line T47D and cervix cancer cells line HeLa was determined using an MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide) assay.

Various anticancer medications have been discovered due to advances in the health care industry, but they have undesirable side effects. On the other hand, anticancer drugs derived from natural sources have low side effects, making them excellent for cancer therapy. This study aims to evaluate the effect of clove flower extract (Syzygium aromaticum) as a potential anticancer agent by determining grid-score values using molecular docking and LC50 values using the brine shrimp lethality test (BSLT) technique. As animal models, three hundred larvae of Artemia salina leach were divided into six groups. Each group has ten larvae that have undergone five replications. The clove flower extract concentration in the treatment media was 50 ppm (T1), 250 ppm (T2), 500 ppm (T3), 750 ppm (T4), 1000 ppm (T5), and 0 ppm (seawater) as the control. The probit analysis of Artemia Salina leach mortality percentage data. The results indicated that the clove flower extract (Syzygium aromaticum) is harmful to larvae with LC50 values of 227,1 g/ml or in the equation y = 2,8636 x – 1,7466 with an R2 value of 0.9062. According to molecular docking, eugenol acetate (grid-score −42.120834) has a close relationship with the cognate enzyme nitric oxide synthase (3E7G) based on its proximity to the grid score value (grid-score −61.271812). Therefore, clove flower extract has the potential to act as an anticancer medication. Based on the grid-score proximity, eugenol acetate is close to the homologous enzyme nitric oxide synthase (3E7G). Inhibition of nitric oxide synthase also shows a reduction in cancer cell proliferation.

Bergenin is a polyphenolic compound that contains isocoumarin skeletal derived from C -glycosylated 4- O -methylgallic acid. The biological activities of this compound and its derivatives are quite diverse. Recent studies reveal neuroprotective effects in vitro and in vivo in Alzheimer's. Norbergenin is a demethylated form of bergenin, known for better antioxidant capacity and associated with neuroprotective properties through oxidative stress inhibition. This study focused on investigating the scavenging mechanism of norbergenin with the • OH, • OOH, and O 2 ∙ − as a radical model under physiological and lipid environments. The thermodynamic and kinetic parameters of the hydrogen transfer (HT), single electron transfer (SET), sequential proton lost-electron transfer (SPLET) and radical adduct formation (RAF) mechanisms were determined theoretically by the density functional theory (DFT) at M06-2X/6-311 + + G(d,p) level of theory. Based on the computational results, this compound has proved as an excellent • OOH and • OH scavenger under physiological conditions better than Trolox and vitamin C, whereas its radical demonstrated as an efficient O 2 ∙ − scavenger.