The 3-(benzylideneamino)-2-(2,4-dichlorophenyl)-quinazoline-4(3H)-ones (BDCQ) are compounds developed as anticancer drugs and quinazolines. The activity and bioavailability of BDCQ derivatives as anticancer compounds that inhibit COX-2 can be predicted by computer programs and online servers. Substituents are added at positions 2 and 3 to the quinazoline-4(3H)-on ring, such as -H, -NO2, -OCH3, -N(CH3)2, -SO2NH2, -OH, and –OCH3. QSAR as COX-2 inhibitor analysis was performed by SPSS Ver. 21 software. Lipinski’s rule of five for determining bioavailability is performed by an online server at http://ilab.acdlabs.com. The best QSAR equation used to predict the COX-2 inhibitors from these compounds is RS-pred = 0.372 Log P + 0.014 MR + 0.979 Etot – 4.859, with n= 12, R = 0.998; SE = 0.356, F = 805.252 and sig = 0.001. Six compounds were predicted to have good oral bioavailability, such as 3-(benzylideneamino)-2-(2,4-dichlorophenyl)quinazoline-4(3H)-one, 2-(2,4-dichlorophenyl)-3-((2-nitrobenzylidene)amino)quinazoline-4(3H)-one, 2-(2,4-dichlorophenyl)-3-((3-nitrobenzylidene)amino)quinazoline-4(3H)-one,  2-(2,4-dichlorophenyl)-3-((2-methoxybenzilidene)amino)quinazoline-4(3H)-one, 2-(2,4-dichlorophenyl)-3-((3-methoxybenzylidene)amino)quinazolin-4(3H)-one,  and 2-(((2-(2,4-dichlorophenyl)-4-oxoquinazolin-3(4H)-yl)imino)methyl)- benzenesulfonamide. This research can be used as an in vitro and in vivo study for BDCQ derivatives as anticancer drugs.  

Background: Nowadays, a lot of new active substances as anticancer agents have been developed. One of the protein targets of anticancer is selective cyclooxygenase-2 (COX-2). Selective COX-2 is the regulator of cell proliferation. Objective: In this research, quinazoline derivatives were used to design the anticancer agent through a selective COX-2 inhibition. The potential activity of quinazoline derivatives could be increased by substitution in position 2 and 3 of quinazolinone. Molecular docking of selective COX-2 inhibition was required to predict their antiproliferation activity. Methods: The molecular docking of quinazoline derivatives was carried out using Molegro Virtual Docker (MVD) Ver.5.5. Twenty-one of quinazoline derivatives were docked into selective COX-2 with PDB code 3LN1. The interaction was evaluated based on the re-ranked score comparison between quinazoline derivatives with co-crystallized ligand CEL_682. Celecoxib was used as the reference to this research. Results: The result indicated that 18 of 21 quinazoline derivatives showed the approximately re-ranked score -131.508 to -108.418 kcal/mol. Eight of these 18 new quinazoline derivatives have re-ranked score better than Celecoxib. Conclusions: In conclusion, 8 of the new quinazoline derivatives are feasible to be synthesize and performed their in vitro evaluation. AbstrakPendahuluan: Saat ini, banyak zat aktif baru sebagai senyawa antikanker telah dikembangkan. Salah satu target protein antikanker adalah siklooksigenase-2 (COX-2) selektif. COX-2 selektif adalah regulator proliferasi sel. Tujuan: Dalam penelitian ini, turunan kuinazolin digunakan untuk merancang senyawa antikanker melalui hambatan COX-2 selektif. Aktivitas dari turunan kuinazolin dapat ditingkatkan dengan penambahan gugus pada posisi 2 dan 3 dari kuinazolinon. Penambatan molekul penghambat COX-2 selektif diperlukan untuk memprediksi aktivitas antiproliferasinya. Metode: Penambatan molekul turunan kuinazolin dilakukan dengan menggunakan Molegro Virtual Docker (MVD) Ver.5.5. Dua puluh satu dari turunan kuinazolin dilakukan penambatan molekul pada COX-2 selektif dengan kode PDB 3LN1. Interaksi dievaluasi berdasarkan perbandingan nilai re-rank antara turunan kuinazolin dengan ko-kristalin ligan CEL_682. Selekoksib digunakan sebagai acuan untuk penelitian ini. Hasil: Hasil penelitian menunjukkan bahwa 18 dari 21 turunan kuinazolin diketahui memiliki nilai re-rank sebesar -131,508 sampai -108,418 kkal/mol. Delapan dari 18 turunan kuinazolin yang baru memiliki nilai re-rank yang lebih baik dari Selekoksib. Kesimpulan: 8 dari turunan kuinazolin yang baru pantas untuk disintesis dan dilakukan evaluasi in vitro.Kata kunci: turunan kuinazolin, penambatan molekul, COX-2 selektif, antiproliferasi

No abstract

The plants are rich sources of secondary metabolites, a bioactive compound that has various activities. Flavonoids, as a type of secondary metabolite, have been reported to possess anticancer, antioxidant, antibacterial, anti-inflammatory, and antiviral activities. Flavonoid has been found abundantly in Neem (Azadirachta indica Juss.) leaves. The difference in total flavonoid content might be an occurrence of the different solvent types and concentrations. The present study was conducted to analyze the phytochemical and determine the total flavonoid content of neem leaves extract using two different solvents (namely 70% ethanol and ethyl acetate) using UV-Vis spectrophotometric. The extraction from neem leaves was performed by maceration method. Phytochemical analysis of neem leaves reveals several secondary metabolites: flavonoids, steroids/triterpenoids, tannins, and saponins. Total flavonoid content from both extracts was determined by utilizing the UV-Vis spectrophotometric method at a maximum wavelength of 428.2 nm with three repetitions, and also quercetin was used as a standard. Total flavonoid content from neem leaves extract in solvents of 70% ethanol and ethyl acetate had a value of 118.57 ± 0.08 mg/g QE and 74.17 ± 0.20 mg/g QE, respectively. Neem leaves extract in solvents of 70% ethanol and ethyl acetate had identical phytochemical content. Total flavonoid content of neem leaves from 70% ethanol extract was higher than ethyl acetate extract.

Food additives are materials added to food to affect the nature or shape of the food. These condiments can cause adverse effects on health if being consumed every day more than the amount in mg/Kg body weight. In addition, there are food additives that are prohibited, such as boric acid, formalin, salicylic acid, and others. The lack of understanding of junior high school (SMP) students regarding food additives that are allowed and prohibited cause students to be more likely exposed to foods that contain harmful substances that will accumulate or cause negative effects in the long term. This Community Service Activity aims to improve the understanding of School Health Unit (UKS) cadre students regarding food additives and balanced nutrition. This activity was attended by students from SMPN 1 Singosari, SMP 4 Muhammadiyah Singosari, and SMP Islam Bani Hasyim Singosari. Before and after the counseling material regarding food additives and balanced nutrition, the level of understanding was measured using pre and post-tests. The test results were then analyzed using independent T-test statistics with a confidence level of 95. The results of this activity indicate that there is an increase in participants' knowledge (40%) about food additives and balanced nutrition. Counseling is one of the ways to increase students' understanding of food additives as food safety and balanced nutrition is important to support growth and development.