Crystal structure of ethyl 4-amino-5-(5-methyl-1-(4-tolyl)-1H-1,2,3-triazole-4-carbonyl)-2-(phenylamino)thiophene-3-carboxylate, C24H23N5O3S

C24H23N5O3S, triclinic, P1̅ (no. 2), a = 9.1704(9) Å, b = 10.1253(11) Å, c = 12.2182(14) Å, α = 83.686(10)°, β = 89.542(9)°, γ = 76.982(9)°, V = 1098.5(2) Å3, Z = 2, Rgt(F) = 0.0551, wRref(F2) = 0.1510, T = 296(2) K

Baicalin-Loaded Lipid–Polymer Hybrid Nanoparticles Inhibiting the Proliferation of Human Colon Cancer: Pharmacokinetics and In Vivo Evaluation

This research work is focused on pharmacokinetic and biochemical experiments to assess baicalin-loaded lipid–polymer hybrid nanoparticles (LPHNPs) with colon-targeting specificity. The nanoprecipitation method was used to develop the LPHNPs, and the characterized formulation revealed the 184.3 nm particle size, PDI of 0.177, spherical shape, and zeta potential of −19.8 mV. The baicalin LPHNPs are said to be poorly absorbed in the stomach and small intestine, and in vitro drug release tests have shown that the drug is released mostly in the caecal fluid. Additionally, the LPHNPs showed stability and nonsignificant drug loss at 25 °C for 3 months. The least viable population of baicalin-loaded LPHNPs was detected at a lower IC50 value after 48 h, and no cytotoxicity was observed by blank suspension and blank LPHNPs up to the concentration of 100 µg/mL. Apart from this, the pharmacokinetics study showed that baicalin from LPHNPs is much less absorbed and least available in the blood plasma and maximum available in the colon. Concurrently, organ distribution studies demonstrated that baicalin-loaded LPHNPs were distributed more widely in the colon compared to baicalin suspension. Moreover, baicalin-loaded LPHNPs were found to be superior to a baicalin suspension in reducing elevated liver enzyme levels. In a nutshell, baicalin-loaded LPHNPs show superior efficacy and can be maximally localized into the colon rectal cancer along with systemic availability of the drug

A simple and eco-friendly microwave mediated route the synthesis of novel antimicrobial substituted quinoline-2-thiones

An eco-friendly and efficient method was developed for the preparation of a new series of sulfur-containing quinolinthiones. Compounds 6a–o were synthesized from 4-methyl-2-thiocoumarin and arylhydrazides using water as a solvent under microwave irradiation. Some noteworthy features of our novel method are its cleanliness, short reaction time and high conversion rate, and the reaction proceeds (profiles) using a simple procedure. All of the prepared compounds were screened for their antibacterial efficacy in vitro using the disc diffusion method against bacterial strains. Compound (6j) showed the greatest potency with a 16 and 19 mm inhibition zone against Klebsiella pneumonia and Staphylococcus aureus, respectively

Photocatalytic Synthesis of Quinazolinone Derivatives as Mediated by Titanium Dioxide (TiO₂) Nanoparticles Greenly Synthesised via <i>Citrus limon</i> Juice

In this study, we focused on the ultrasonic synthesis of titanium dioxide (TiO2) nanoparticles via a green chemistry process using Citrus limon (lemon) juice. XRD diffractograms and Raman spectroscopy revealed the anatase structure of TiO2, SEM analysis showed nanometric particle sizes, and FTIR spectroscopy confirmed the presence of the synthesized nanoparticles. The catalytic performance of the biosynthesised nanoparticles was evaluated for the synthesis of sulphur-substituted quinazolinone derivatives under UV irradiation. The final products were achieved in 6–8 h with good yields (79–91%).</p

Synthesis, structural and Raman spectroscopic in organic−inorganic halide perovskites based on β-Alanine

The amino acid copper chlorides [NH3C2H4CO2H]2 CuCl4 is a new member of the family of organic-inorganic hybrid like perovskite system. This compound crystallizes in the monoclinic space group C2/c with unit cell parameters a = 25.1209 (3) Å, b = 7.7432 (2) Å, c = 7.4130 (2) Å, β = 105.293 (2)° and Z = 4. The molecule formula consists of a combination of [CuCl4]2– anions and two twisted organic [NH3(CH2)2CO2H]+ cations to form a two-dimensional perovskite system. Three dimensional hydrogen – bonding network is assuring the cohesion between these layers to stabilize the crystal. The micro-Raman spectroscopy measurement technique is used to probe organic−inorganic halide perovskite vibration modes and to study the effect of laser beam power on the intensity of Raman lines

Water-mediated synthesis of disubstituted 5-aminopyrimidines from vinyl azides under microwave irradiation

An efficient and ecofriendly method for the synthesis of disubstituted 5-aminopyrimidines from vinyl azides and urea or thiourea was developed. This reaction proceeds under microwave irradiation conditions in the presence of water as a solvent. The remarkable features of this new protocol are high conversion, short reaction times, cleaner reaction profiles and straightforward procedure

Water-mediated synthesis of disubstituted 5-aminopyrimidines from vinyl azides under microwave irradiation

An efficient and ecofriendly method for the synthesis of disubstituted 5-aminopyrimidines from vinyl azides and urea or thiourea was developed. This reaction proceeds under microwave irradiation conditions in the presence of water as a solvent. The remarkable features of this new protocol are high conversion, short reaction times, cleaner reaction profiles and straightforward procedure

Design, synthesis, molecular docking, and in vitro studies of 2-mercaptoquinazolin-4(3H)-ones as potential anti-breast cancer agents

Triple-negative breast cancer (TNBC) comprises 10 % to 20 % of breast cancer, however, it is more dangerous than other types of breast cancer, because it lacks druggable targets, such as the estrogen receptors (ER) and the progesterone receptor (PR), and has under expressed receptor tyrosine kinase, ErbB2. Present targeted therapies are not very effective and other choices include invasive procedures like surgery or less invasive ones like radiotherapy and chemotherapy. This study investigated the potential anticancer activity of some novel quinazolinone derivatives that were designed on the structural framework of two approved anticancer drugs, Ispinesib (KSP inhibitor) and Idelalisib (PI3Kδ inhibitor), to find out solutions for TNBC. All the designed derivatives (3a-l) were subjected to extra precision molecular docking and were synthesized and spectrally characterized. In vitro enzyme inhibition assay of compounds (3a, 3b, 3e, 3 g and 3 h) revealed their nanomolar inhibitory potential against the anticancer targets, KSP and PI3Kδ. Using MTT assay, the cytotoxic potential of compounds 3a, 3b and 3e were found highest against MDA-MB-231 cells with an IC50 of 14.51 µM, 16.27 µM, and 9.97 µM, respectively. Remarkably, these compounds were recorded safe against the oral epithelial normal cells with an IC50 values of 293.60 µM, 261.43 µM, and 222 µM, respectively. The anticancer potential of these compounds against MDA-MB-231 cells was revealed to be associated with their apoptotic activity. This was established by examination with the inverted microscope that revealed the appearance of various apoptotic features like cell shrinkage, apoptotic bodies, and membrane blebbing. Using flow cytometry, the Annexin V/PI-stained cancer cells showed an increase in early and late apoptotic cells. In addition, DNA fragmentation was revealed to occur after treatment with the tested compounds by gel electrophoresis. The relative gene expression of pro-apoptotic and anti-apoptotic genes revealed an overexpression of the P53 and BAX genes and a downregulation of the BCL-2 gene by real-time PCR. So, this work proved that compounds 3a, 3b, and 3e could be developed as anticancer candidates, via their P53-dependent apoptotic activity