Results Of Cytotoxicity Evaluation Research Articles

Pyrimidine Tethered Pyrazoles: Synthesis, Biological, and Molecular Docking Studies

A series of pyrimidine integrated pyrazoles (5a?5g) has been synthesized in good yields from aryl hydrazines and aralkyl ketones through a protocol of multi-steps such as condensation/imine formation, cyclization/Vilsmeier-Haackreaction, and Knoevenagelcondensation and characterized through physical and spectral techniques. 2,2-diphenylpicrylhydrazyl radical scavenging evaluation revealed that the chemical entity possessing para-fluoro substituent on the aromatic unit tethered at the carbon of pyrazole scaffold 5g exerted the highest activity among the investigated ones. Of the results of cytotoxicity evaluation utilizing AsPC1, BxPC3, SW1990 (pancreatic cancer cells), the chemical entity possessing ortho-chlorosubstitient on the aryl unit integrated at carbon of pyrazole scaffold 5b exhibited superior activity. Besides, the molecular docking studies of the ortho-chloroaryl group possessing chemical entity 5b with BCL-2 (B-cell lymphoma 2) displayed significant binding affinity (-9.1 kcal mol-1). In addition, pharmacokinetic as well as prediction of drug-likeness for all the molecular hybrids 5a?5g have been evaluated using SwissADME tool and all the chemical entities are in good agreement of Lipinski rule with no violation.. KEYWORDS :Cytotoxicity, Molecular docking, Pyrazoles, Pyrimidines, Radical scavenging, SwissADME.

Synthesis, in-Silico investigations, molecular docking, ADMET, and anti-lung cancer activity studies of 1,2,4,5-tetraazaspiro[5.5]undecane-3-thione

Several innovative materials' properties are predicted using in silicon investigations, a computer simulation technique. 1,2,4,5-tetraazaspiro[5.5]undecane-3-thione was synthesized and characterized by using a variety of spectroscopic approaches followed by in silicon studies. DFT at the B3LYP functional level and the basis set 6–311 ++G (d,p) was used. The title molecule was investigated for its electric dipole moment, polarizability, andstatic hyperpolarizability. In silicon studies of the compound were done and showed good result to predict pharmacokinetics, lipophilicity, physicochemical and medicinal properties of the target molecule. Molecular docking was done between receptors and ligand by simulating molecular interactions in BRD4 proteins. The compound was also bio-evaluated for its anti-lung cancer activity against A549 cancer cell line. Theoretical calculation of ADMET properties suggested that the synthesized compound shows good pharmacokinetic profile. The results of cytotoxic evaluation indicated that the compound has broad-spectrum cytotoxic activity with IC50 values of 300 μM against A549 cell line.

Synthesis, crystal structure, computational investigation, molecular docking analysis and anti-lung cancer activity of novel (Z)-3-amino-2-(cyclohexylidenehydrazono)thiazolidin-4-one

Ever since the disease of cancer was discovered, man has been mystified by both its mysterious origin and the even more mystifying mechanisms by which it spreads. Although advances in surgery and radiotherapy have significantly impacted cancer treatment, the idea of systemic chemotherapy which is targeted specifically at cancer cells and has minimal side effects remains a strategic goal for the future. A novel thiazolidin-4-one analogue was synthesized by the reaction of 1,2,4,5-tetraazaspiro[5.5]undecane-3-thione with chloroacetic acid. The newly synthesized compound was investigated theoretically as well as experimentally by FT-IR, 1H, 13C NMR and UV–Vis spectra and biologically screened in vitro for its anti-lung cancer activity against A549 cancer cell line. The crystal structure of (Z)-3-amino-2-(cyclohexylidenehydrazono)thiazolidin-4-one has been determined by single crystal X-ray diffraction and revealed that it belongs to monoclinic system with cell dimensions: a = 18.9393 (16) Å, b = 5.2747 (4) Å, c = 10.9518 (9) Å, α = 90°, β = 90.214 (3), γ = 90° and V = 1082.85 (15) Å3. Hirshfeld surface analysis was performed to study the nature of intermolecular interactions within the crystal structure via 3D and 2D fingerprint surfaces and to demonstrate H-bonding with close contacts in crystal via dnorm surface. A descriptive study of (Z)-3-amino-2-(cyclohexylidenehydrazono)thiazolidin-4-one was done by using density functional theory at DFT/B3LYP/6–311 ++G (d,p) basis set. Results of NLO analysis, ELF, LOL, NCI, AIM, HOMO-LUMO, first hyperpolarizability and molecular electrostatic potential were reported. Theoretical calculation of ADMET properties suggested that the synthesized compounds have a good pharmacokinetic profile. The results of cytotoxic evaluation indicated that (Z)-3-amino-2-(cyclohexylidenehydrazono)thiazolidin-4-one has broad-spectrum cytotoxic activity with IC50 values of 240 μM against Human lung carcinoma cell line (A549).

A convergent multicomponent synthesis, spectral analysis, molecular modelling and docking studies of novel 2H-pyrido[1,2-a]pyrimidine-2,4(3H)-dione derivatives as potential anti-cervical cancer agents

A series of Novel hybrid 3,3-dimethyl-13-(substituted-phenyl)-3,4,5,13-tetrahydro-1H-pyrido[1′,2′:1,2]pyrimido[4,5-b]quinoline-1,12(2H)-dione derivatives were designed and chemically synthesized in useful yields. The newly synthesized compounds were characterized on the basis of spectral (FT-IR, 1H, 13C NMR, Mass spectral) analyses, and biologically screened in-vitro for their anti-cervical cancer activity against HeLa cancer cell line. The results of cytotoxic evaluation indicated that compounds 7a, 7b, 7c and 7e were appeared to have broad-spectrum cytotoxic activity with IC50 values of 270 µM, 320, 330, and 400 µM, against HeLa cell line. Compound 7a exhibited the most promising inhibitory activity against HeLa cell line as compared to 7b, 7c and 7e. Structural-Activity Relationship (SAR) results show that the presence of electron withdrawing substituents play an important role in the anti-cervical cancer activity of these tested compounds. Moreover, molecular docking studies were conducted to investigate the probable binding conformations of these anti-cancer agents and in-silico ADME (Absorption, Distribution, Metabolism, and Excretion) properties were calculated to predict physicochemical, lipophilicity, pharmacokinetics and medicinal properties of the target compounds.

Design, synthesis, and biological evaluation of selenium-containing small molecule compounds based on the dual mechanism of fungal CYP51 inhibition and fungal ROS generation

Herein, we modified our previously published miconazole analogue containing selenium A03 of fungal CYP51 (belongs to the cytochrome P450 monooxygenase (CYP) superfamily) inhibitors to obtain novel analogues with inhibitory effects on multiple fungal pathogens, but also with a novel mechanism of action such as inducing fungal ROS (reactive oxygen species) generation. Firstly, three novel series of selenium-containing azole derivatives were prepared to determine their antifungal activity against common test fungal strains and fluconazole-resistant strains. Among all the novel derivatives, compounds B06, B11 and B14 with excellent antifungal activity (0.03-4 µg/mL) can inhibit the fluconazole-resistant Candida Strain 17#, CaR, 632, 901 and 904 in the range of MIC (minimal inhibitory concentrations) values (0.25–16 µg/mL). Antifungal mechanism studies revealed representative compounds not only had dose-dependent inhibitory activity of CYP51 but also down-regulated the expression of resistance-associated genes. Interestingly, representative compound B11 could also promote the generation of ROS. Therefore, the MIC values of Candida albicans (SC5314) inhibited by B11 and C06 in the presence of different concentrations of antioxidant NAC (N-acetyl-L-cysteine) were measured to further verify the synergistic antifungal effect between the mechanism promoting fungal ROS production and CYP51 inhibitory activity. Meanwhile, the results of cytotoxic evaluation showed that representative compounds were at the same level as that of miconazole with IC50 of 8.61∼29.91 µM, suggesting that the toxicity of the target compounds did not increase after the introduction of selenium atoms. Moreover, the in vitro stability assays also indicated our developed compounds possessed better liver microsomal metabolic stabilities (T1/2=14.9–20.1 min) compared with miconazole (T1/2=8.3 min). And representative compound B11 also displayed stability in rat plasma (T1/2>360 min). In addition, the docking results showed that the binding modes of target compounds B06, B11 and C06 to Candida albicans CYP51 were almost the same as those of miconazole. Overall, the selenium-containing small molecule compounds with dual mechanism can be further developed for the potential treatment of invasive fungal infections.

Use of 2D and co-culture cell models to assess the toxicity of zein nanoparticles loading insect repellents icaridin and geraniol

After the latest dengue and Zika outbreaks, the fight against mosquito vectors has become an emerging area of research. One tool for this combat is repellents; however, these products are composed of different toxic agents. Botanical compounds with repellent potential are an alternative; however these compounds are highly volatile. Thus, the present study aimed to synthesize zein-based polymeric nanoparticles as an efficient carrier system for the sustained release of the repellents icaridin and geraniol and evaluate the toxicity of these nanorepellents comparing two different cell models. In vitro tests were carried out due to current Brazilian legislation prohibiting animal testing for cosmetics (current classification of repellents). The cytotoxicity and genotoxicity of the nanoparticles were evaluated in 2D and co-culture cell models (A549/lung epithelium, HaCaT/keratinocytes, HT-29/intestinal epithelium, and THP-1/peripheral blood monocytes). Cell viability by mitochondrial activity, cell membrane integrity, damage to genetic material, and expression of genes involved in the allergic/inflammatory system were evaluated. The results of cytotoxicity evaluation showed cell viability above 70% in both cell models. No differences were observed in genotoxicity assessment between cells exposed to nanorepellents and controls. In contrast, gene expression analysis showed increased cytokine expression for the emulsion compounds in 2D cell cultures compared to co-cultures. These findings open perspectives that zein-based nanorepellents have potential applications due to the reduced toxicity observed when the compounds are encapsulated and emerge as an alternative for arbovirus control. In addition, the study demonstrated that depending on the analysis, different results might be observed when comparing 2D and co-culture cell models to evaluate the toxicity of new nanosystems.

Design, Synthesis, biological Evaluation, and molecular docking studies of novel Pyrazolo[3,4-d]Pyrimidine derivative scaffolds as potent EGFR inhibitors and cell apoptosis inducers

A series of novel hybrid pyrazolo[3,4-d]pyramidine derivatives was designed and chemically synthesized in useful yields. The synthesized compounds were structurally characterized by the usual techniques. All the new synthesized compounds were biologically screened in vitro for their antiproliferative activities against a panel of four cancer cell lines, namely HepG-2, MCF-7, HCT-116, and Hela. The results of cytotoxic evaluation indicated that compound 14d was appeared to be the most prominent broad-spectrum cytotoxic activity and significantly more potent than sorafenib with IC50 values of 4.28, 5.18, 3.97, and 9.85 µM against four cell lines (HePG2, Hela, HCT-116 and MCF-7). In addition, compound 15 was displayed promising antiproliferative effect against all tested cell lines with IC50 value less than 11 µM compared with sorafenib as a control drug. Besides, structurally pharmacophoric features indicated that pyrazolo[3,4-d]pyrimidine scaffold having an amide linker and substituted with phenyl moiety at the 5-position was more potent than those possessing azomethine methyl, azomethine proton and carbomethene linkers, which lead to significant decrease in antiproliferative activity.The most potent compounds were further selected and evaluated for their activities against epidermal growth factor receptor (EGFR) kinase inhibitors according to homogenous time resolved fluorescence (HTRF) assay. The most potent compound 14d exhibited the most promising inhibitory activity against EGFRWT with IC50 value of 56.02 ± 1.38 µM compared with gefitinib as control drug with IC50 value of 41.79 ± 1.07 µM. Moreover, the inhibition of cell cycle progression and induction of apoptosis in the A549 cell line at G2/M and pre-G1 phases of cell cycle might contribute to cancer treatment that evaluated by Annexin V-FITC/PI double staining detection method. Finally, molecular docking studies were conducted to investigate that probable binding conformations of these anticancer agents and ADME properties were calculated to predict pharmacokinetics and toxic properties of the target compounds.

SYNTHESIS AND BIOLOGICAL EVALUATION OF NOVEL PYRAZOLO[3,4-D]PYRIMIDINE DERIVATIVES OF EXPECTED ANTICANCER ACTIVITY

A series of novel pyrazolo[3,4-d]pyrimidine derivatives have designed and synthesized in synthetically useful yields. All the new synthesized compounds were biologically evaluated in vitro for their cytotoxic activities against a panel of three cancer cell lines namely, HepG-2, MCF-7, and HCT-116. The results of cytotoxic evaluation indicated that compound (9) exhibited the most prominent cytotoxic effect against all tested cell lines with IC50 values ranging from (4.03- 6.18) µM comparable to that of doxorubicin as a control drug (IC50 values of 8.17 and 9.27 µM). In particular, compounds (8,9,11) and (12) exhibited higher intercalative activity with IC50 value of 30 µM than doxorubicin (31 µM).

SYNTHESIS AND PHARMACOLOGICAL EVALUATION OF SOME NEW 1,2,4-TRIAZOLO QUINAZOLINE DERIVATIVES

Cancer is a major public health problem in all countries and remains as one of the top leading causes of death worldwide. Herein we report the synthesis of novel series of triazoloquinazolines as potential anticancer agents. Structures of this set of compounds were confirmed by different spectral data including IR, 1H NMR, 13C NMR, Mass spectra, and elemental analyses. All the newly synthesized compounds were evaluated for their anti-proliferative activity against four human cancer cell lines namely; Hepatocellular carcinoma (HePG-2), Mammary gland breast cancer (MCF-7), Human prostate cancer (PC3) and Colorectal carcinoma (HCT-116)). Results of cytotoxicity evaluation showed that the synthesized compounds displayed moderate cytotoxic activity against the selected cancer cell lines. Compound 9 showed the highest anti-proliferative effect followed by compound 7 against colorectal carcinoma cell line (HCT-116) with IC50 values of 17.35 and 27.05 µM respectively. As well, both compounds showed moderate activity against hepatocellular carcinoma (HePG2) with IC50 values of 29.47 and 39.41 µM respectively.

SYNTHESIS AND BIOLOGICAL EVALUATION OF NOVEL PYRAZOLO[3,4-D]PYRIMIDINE DERIVATIVES OF EXPECTED ANTICANCER ACTIVITY

A series of novel pyrazolo[3,4-d]pyrimidine derivatives have been designed based on chemical modifications on the general features of the reported and clinically used EGFR-TKIs such as repalcing of quinazoline moiety of reported EGFR-TKIs as erlotinib by pyrazolo[3,4-d]pyrimidine nucleus,introducing different hydrophobic moieties including phenyl, aromatic heterocyclic, fused aromatic or aliphatic structures , introducing different linkers which may be one atom , two atoms, three atoms, four atoms and five atoms and introducing of phenyl ring at position-3 of 1H-pyrazolo[3,4-d]pyrimidine nucleus to occupy the hydrophobic region II of ATP binding site. All the new synthesized compounds were biologically screened in vitro for their cytotoxic activities against four cancer cell lines namely, HepG-2, MCF-7, HCT-116, and Hela. The results of cytotoxic evaluation indicated that compound VI was found to be the most prominent broad-spectrum cytotoxic activity and significantly more potent than doxorubicin with IC50 values of 6.18, 6.48, 4.03, and 5.82μM against tested cell lines. In addition, compounds IXa,b displayed promising cytotoxic effect against all tested cell lines with IC50 values less than 30 μM compared with doxorubicin as a control drug. Besides, compound X possessed excellent anti-proliferative activities against the four cell lines with IC50 values ranging from 18 μM to 39.5 μM. Structural pharmacophoric features indicated that pyrazolo[3,4-d]pyrimidine scaffold having a four atoms linker as thiosemicarbazide moiety as compounds IXa,b which substituted with aliphatic moiety at the 4-position was more potent than those possessing one atom, two atoms, three atoms and five atoms linkers which lead to significant decrease in cytotoxic

Evaluation of antitumor potential of synthesized novel 2-substituted 4-anilinoquinazolines as quinazoline-pyrrole hybrids in MCF-7 human breast cancer cell line and A-549 human lung adenocarcinoma cell lines

BackgroundA series of novel 2 substituted 4-anilinoquinazolines-pyrrole hybrids were synthesized, and cytotoxic activity were evaluated using MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl tetrazolium bromide) assay.MethodsThe cell line used for the activity was MCF-7 breast cancer cell line and A459 human lung adenocarcinoma cell line. The newly quinazoline-pyrrole hybrid compounds have been synthesized from the 4-chloro-7-(3-chloropropoxy)-6-methoxy-2-phenylquinazoline derivatives. The chemical structure of the synthesized compounds has been confirmed by FTIR, 1HNMR, 13C NMR, and mass spectral data. The cytotoxic study was conducted using morphological study and MTT assay against adenocarcinoma and human breast cancer cell lines.ResultsThe results of cytotoxic evaluation revealed that few compounds show moderate to promising activity when compared with standard doxorubicin (IC50 value 41.05 μM at 72 h). The synthesized compounds 7d and 7f were found effective in breast cancer cell line with IC50 values 40.64 μM and 44.98 μM at 72 h, respectively. The synthesized compounds 7d, 7f, 7g, and 7h were found effective in adenocarcinoma cell line with IC50 values of 41.05 μM, 45.54 μM, 46.93 μM, and 48.62 μM, respectively.ConclusionBased on the experimental evidences, we proposed structure activity relationship to provide significant information for the design and development of further potent anticancer agents.

Bioactive antibacterial bilayer PCL/gelatin nanofibrous scaffold promotes full-thickness wound healing.

Treatment of diabetic, chronic, and full-thickness wounds is a challenge as these injuries usually lead to infections that cause delayed and inappropriate healing. Therefore, fabrication of skin scaffolds with prolonged antibacterial properties are of great interest. Due to this demand, bilayered nanofibrous scaffolds were fabricated based on polycaprolactone and gelatin. The top layer of these scaffolds contained amoxicillin as a model drug and the bottom layer was loaded with zinc oxide nanoparticles to accelerate wound healing. Several characterization techniques including FTIR, SEM, swelling, tensile test, in vitro degradation, drug release, antibacterial activity, and MTT assay were used to assess physical, mechanical, and biological properties of produced nanofibers. SEM results demonstrated that bilayered scaffolds have smooth bead-free microstructures while in vitro release test showed that samples have a sustained release for amoxicillin up to 144h (tested time). Disk diffusion assessment confirmed the potency of scaffolds for hindering bacterial growth while results of cytotoxicity evaluation revealed that scaffolds could effectively accelerate cell proliferation. Finally, in vivo tests on full-thickness rat models revealed that fabricated nanofibers accelerate wound contraction, increase collagen deposition and angiogenesis, and prevent scar formation. Altogether, results showed that fabricated scaffolds are promising candidates for treatment of full-thickness wounds.

Design, synthesis, and molecular docking studies of new [1,2,4]triazolo[4,3-a]quinoxaline derivatives as potential A2B receptor antagonists.

Many shreds of evidence have recently correlated A2B receptor antagonism with anticancer activity. Hence, the search for an efficient A2B antagonist may help in the development of a new chemotherapeutic agent. In this article, 23 new derivatives of [1,2,4]triazolo[4,3-a]quinoxaline were designed and synthesized and its structures were confirmed by different spectral data and elemental analyses. The results of cytotoxic evaluation of these compounds showed six promising active derivatives with IC50 values ranging from 1.9 to 6.4μM on MDA-MB 231 cell line. Additionally, molecular docking for all synthesized compounds was performed to predict their binding affinity toward the homology model of A2B receptor as a proposed mode of their cytotoxic activity. Results of molecular docking were strongly correlated with those of the cytotoxic study. Finally, structure activity relationship analyses of the new compounds were explored.

DESIGN, SYNTHESIS, MOLECULAR DOCKING AND ANTI-PROLIFERATIVE EVALUATION OF NOVEL PYRAZOLO[4,3-E][1,2,4]TRIAZOLO[4,3-C]PYRIMIDINE DERIVATIVES AS POTENTIAL DNA INTERCALATORS AND TOPOISOMERASE II INHIBITORS

A series of novel hybrid pyrazolotriazolopyramidine derivatives was designed and synthesized in synthetically useful yields. All the new synthesized compounds were biologically evaluated in vitro for their cytotoxic activities against a panel of three cancer cell lines namely, HepG-2, MCF-7, and HCT-116. The results of cytotoxic evaluation indicated that compounds 12, and 11 exhibited the most prominent cytotoxic effect against all tested cell lines with IC50 values ranging from 12.41 to 22.18 µM comparable to that of doxorubicin as a control drug (IC50 values of 8.17 and 9.27 µM). Moreover, the most potent compound was further evaluated for its topoisomerase II inhibitory activities and DNA intercalating affinities as potential mechanisms for its anti-proliferative activities. In particular, compound 12 exhibited higher intercalative activity with IC50 value of 30 µM than doxorubicin (31 µM). Interestingly, compound 12 displayed a significant topoisomerase II inhibitory activity with IC50 value of 0.055 µM. Furthermore, molecular docking study was also performed in order to understand the binding mode in the active site and explain the anti-cancer results with prospective target.

TRIAZOLOPHTHALAZINE INCORPORATING PIPERAZINE DERIVATIVES: SYNTHESIS AND IN VITRO ANTICANCER EVALUATION STUDY

Cancer remains as one of the top leading causes of death worldwide in the last decade. In an attempt to develop a potent anticancer agent, herein we are reporting the synthesis of two novel series of piperazinyltriazolophthalazines as potential anticancer agents with potential inhibitory activity against PARP-1. All the newly synthesized compounds were evaluated for their anti-proliferative activity against four human cancer cell lines namely; Hepatocellular carcinoma (HePG-2), Mammary gland breast cancer (MCF-7), Human prostate cancer (PC3) and Colorectal carcinoma (HCT-116)). The results of cytotoxicity evaluation showed that most of the synthesized compounds displayed moderate cytotoxic activity against the selected cell lines. Compound 23 showed the highest inhibitory effect followed by compound 24 against hepatocellular carcinoma (HePG2) with IC50 values of 15.05 and 17.23 µM respectively. The same two compounds also showed moderate activity against colorectal carcinoma cell line (HCT-116) with IC50 values of 21.93 and 24.06 µM respectively.

In vitro study on newly designed biodegradable Fe‐X composites (X = W, CNT) prepared by spark plasma sintering

Early in vivo animal test on pure iron coronary stent had proved that it is a promising candidate material as biodegradable metal, despite a faster degradation rate and uniform degradation mode is expected. In this work, Fe-X (X= W, CNT) composites were prepared from powders of pure iron and the additive secondary phase X using the spark plasma sintering (SPS) method, aiming to obtain a higher corrosion rate and a more uniform corrosion mode in physiological environment. The microstructures, mechanical properties, corrosion behaviors, and in vitro biocompatibility of these Fe-X composites were investigated. It was found that the additives were uniformly distributed in the iron matrix and relatively high dense Fe-X composite bulk samples were obtained after sintering by SPS. Both the yield strength and ultimate compressive strength increased when compared with that of as-cast pure iron. The corrosion mode of Fe-X composites turned out to be uniform corrosion instead of localized corrosion. Electrochemical measurements and immersion tests indicated that the addition of W and CNT could increase the corrosion rate of the iron matrix. From the results of cytotoxicity evaluation, it was found that all the Fe-X composites extracts induced no obvious cytotoxicity to L929 cells and ECV304 cells whereas significantly decreased cell viabilities of VSMC cells. The hemocompatibility tests showed that all the hemolysis percentage of Fe-X composites were less than 5%, and no sign of thrombogenicity was observed. It might be concluded that Fe composited with suitable second phase can exhibit higher strength, faster degradation rate, and uniform degradation mode than those of pure iron and are promising candidates for future development of new degradable metallic stents.

Novel N-aryl(alkaryl)-2-[(3-R-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazoline-6-yl)thio]acetamides: synthesis, cytotoxicity, anticancer activity, COMPARE analysis and docking

The series of novel N-aryl(alkaryl)-2-[(3-R-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazoline-6-yl)thio]acetamides were obtained by aminolysis of activated acids 1a–1d and by alkylation of potassium salts 2a–2d by N -aryl-2-chloroacetamies. The structures of compounds were determined by IR, 1H, 13C NMR, LC- and EI-MS analyses. The results of cytotoxicity evaluation by bioluminescence inhibition of bacterium Photobacterium leiognathi Sh1 showed that compounds reveal moderate cytotoxicity. Screening of anticancer activity in vitro yielded the most active compounds 3t, 4b, 4f, 4l and 4n in micromolar concentrations with the GI50 level (logGI50 is from −7.57 to −4.05 for different cell lines, and logGI50 mean graph midpoint varied from −5.30 to −4.50). Moreover, compound 4b had a distinctive selectivity against renal cancer, 4f—colon cancer and melanoma and 4l—renal cancer. The highest sensitivity to compound 4b showed renal cancer cell lines A498 (logGI50 = −7.57). SAR-analysis was discussed, COMPARE analysis and docking was studied. The novel synthesis methods of the N-aryl(alkaryl)-2-[(3-R-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazoline-6-yl)thio]acetamides are proposed. Anticancer activity and Photobacterium leiognathi Sh1 bioluminescence inhibition of synthesized compounds are discussed. SAR-analysis was discussed, and COMPARE analysis and docking was studied.