Natural product such as flavonoids and their derivatives have a discernible capability to inhibit tumor formation and the growth of cancer cell, which have a vital link between diet and chronic disease prevention. Several plants and spices that contain flavonoid derivatives have been used in traditional medicine as disease preventative and therapeutic agents. Therefore, flavonoids could be used as chemotherapeutic drugs, indicating their potential clinical utility in cancer treatment. The purpose of this research was to discover and produce innovative pharmaceuticals from natural sources by introducing structural changes into flavonoids' backbones and changing their structures to improve biological activity and anticancer effects. In the current study, it was expected that the percent unbound values for the 15 compounds in human plasma would be low, ranging between 0.188 and 0.391. However, all compounds have a safe range and are not toxic to the brain. Compounds 2, 10, and 13 were shown to be permeable to the CNS (log PS > −3), but all other compounds had difficulty penetrating the CNS. Furthermore, all compounds had a low total clearance, ranging from 0.038 to 1.216 ml/min/kg, indicating that these compounds have a long half-life. None of the compounds caused skin sensitization (SS), and only compounds 1, 11, and 12 are expected to be AMES-positive, suggesting that the other compounds are not mutagenic. The result of the study showed based on the Drug-likeness and ADMET studies, only 3 compounds, including 3, 4, and 15, have a good pharmacokinetics propriety, the lowest toxicity, and good binding affinity towards Caspase 3 V266APDB (ID: 5I9B) as potential inhibitor candidates for the HeLa cell line, they have a low total clearance property and no AMES mutagenicity or hERG inhibition properties. These compounds (3,4,15) were examined to act as new cytotoxic drug candidates and would have an interest as starting point for designing compounds against the HeLa cell line. Communicated by Ramaswamy H. Sarma

In this study, we reported the synthesis of a new tribranched macromolecule liquid crystal with triazine in the centre. The central triazine core is bonded via sequences of Sonigashira coupling to 3 triazine unites through acetylenic bridges. The triazines at the periphery are substituted with 2 chiral citronellyloxy side groups. The salt of the resulting star-shaped macromolecule, which was oily at room temperature, with 4-dodecyloxybenzoic acid at 1:1 ratio exhibited a Smectic C (SmC) mesophase. The liquid crystalline properties of organic salt were investigated using DSC (differential scanning calorimetry) and POM (polarizing optical microscopy).

Flavonoids contain pharmacological effects that help to protect cells from damage. However, the anticancer activity of flavonoids is related to their modulation of signal transduction pathways within cancer cells. Natural substances such as flavonoids have immune-stimulating anti-tumor effect that could lower breast cancer risk. However, various diseases included Alzheimer’s and cancer disease are associated with flavonoids intake due to their ability as antioxidant agent to alter essential cellular enzyme’s function. Therefore, through interaction between flavonoids and Cytochrome P450 (CYP) family enzymes led to make them chemopreventive agents for breast cancer. In this analysis, the chemo-informatics properties of 5 selective flavonoid derivatives and their efficiency as anti-breast cancer drugs were evaluated. Flavonoid ligands were docked with the predicted protein, which is human placental aromatase complexes with exemestane, a breast cancer drug (3S7S). Based on various docking energies, the molecular characteristics and bioactivity score of the following components, C₁₅H₁₂O₆ 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one and C₁₅H₁₂O₅ 5,8-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one showed greatest molecular properties and bioactivity docking scores of −8.633117 and −8.633117 kcal/mol respectively. Therefore, both compounds could be considered antitumor agent.

New bis-heterocyclic compounds were synthesized by reacting two moles of isoniazid, cyanoguanidine and 2-aminophenol with one mole of a bis-chalcone. The bis-chalcone was prepared from the reaction between acetophenone and terephthalaldehyde using sodium hydroxide. All the prepared compounds were purified and their structures confirmed by spectroscopic methods, such as Fourier transform infrared, ¹H NMR and ¹³C NMR. Their effect against three types of bacteria (negative and positive) for gram stain Escherichia coli, Klebsiella pneumoniae and Staphylococcus aureus was studied and discussed. The results obtained were compared with those of gentamicin, chloramphenicol and amikacin. Our new compounds showed clear inhibition of the different bacteria types with some of them exceeding the effects of the drugs possibly due to the bis-heterocyclic structures of our compounds. The effects of our compounds on the growth of certain types of fungi, Trichophyton and Aspergillus, were studied, showing inhibition of the growth of these fungi at high concentrations.