Novel 4-nitroimidazole analogues: synthesis, biological evaluation, studies, and molecular dynamics simulation.

A new series of 4-nitroimidazole bearing aryl piperazines , tetrazole and 1,3,4-thiadiazole derivatives was synthesized. All derivatives were screened for their anticancer activity against eight diverse human cancer cell lines (Capan-1, HCT-116, LN229, NCI-H460, DND-41, HL-60, K562, and Z138). Compound proved the most potent compound of the series inhibiting proliferation of most of the selected human cancer cell lines with IC values in the low micromolar range.

Novel hybrid motifs of 4-nitroimidazole-piperazinyl tagged 1,2,3-triazoles: Synthesis, crystal structure, anticancer evaluations, and molecular docking study.

4-((4-(1-benzyl-2-methyl-4-nitro-1-imidazole-5-yl)piperazine-1-yl)methyl)-1-substituted-1-1,2,3-triazole motifs are designed and synthesized click chemistry. The reaction of 1-(-benzyl- 2-methyl-4-nitro-1-imidazole- 5-yl)-4-(prop-2-yn-1-yl) piperazine as new scaffold with diverse primary azides to selectively produce 1,4-disubstituted-1,2,3-triazoles ---. Physicochemical methods: when H NMR, C NMR, and HRMS are utilized to fully characterize all synthesized compounds.

Synthesis of new pyrazolone and pyrazole-based adamantyl chalcones and antimicrobial activity.

Chalcones and their derivatives are becoming increasingly popular due to their various pharmacological effects. Chalcone molecules may be extracted from natural resources, entirely synthesised, or biosynthesised by modifying the natural ones. In the present study, five pyrazole-based adamantyl heterocyclic compounds were synthesised by condensation of 1-adamantyl chalcone with substituted phenylhydrazine.

Synthesis of Novel Hybrids of Quinazoline and Artemisinin with High Activities against , Human Cytomegalovirus, and Leukemia Cells.

Many quinazoline derivatives have been synthesized over the last few decades with great pharmacological potential, such as antimalarial, anti-inflammatory, antimicrobial, anticancer, and antiviral. But so far, no quinazoline-artemisinin hybrids have been reported in the literature. In the present study, five novel quinazoline-artemisinin hybrids were synthesized and evaluated for their in vitro biological activity against malarial parasites ( 3D7), leukemia cells (CCRF-CEM and CEM/ADR5000), and human cytomegalovirus.

Synthesis, density functional theory calculations and luminescence of lanthanide complexes with 2,6-bis[(3-methoxybenzylidene)hydrazinocarbonyl] pyridine Schiff base ligand.

A pyridine-diacylhydrazone Schiff base ligand, L = 2,6-bis[(3-methoxy benzylidene)hydrazinocarbonyl]pyridine was prepared and characterized by single crystal X-ray diffraction. Lanthanide complexes, Ln-L, {[LnL(NO ) ]NO .xH O (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy and Er)} were prepared and characterized by elemental analysis, molar conductance, thermal analysis (TGA/DTGA), mass spectrometry (MS), Fourier transform infra-red (FT-IR) and nuclear magnetic resonance (NMR) spectroscopy.

Kinetics of thermal and photo-initiated release of tris (1,3-dichloro-2-propyl) phosphate (TDCP) flame retardant from polyurethane foam materials.

Kinetics of thermal and photo-initiated release of Tris (1.3-dichloro-2-propyl) phosphate (TDCP) from the polyurethane foam (PUF) materials were studied using a validated chromatographic method with linear calibration curve in the range of 0.03-400 μg mL(-1).

Photosensitization of SnO(2)/ZnO semiconductors with zinc-phthalocyanine.

Zinc-phthalocyanine with tyrosine substituent (ZnPcTyro) was attached to different nanocrystalline semiconductors (SnO(2) and ZnO) via carboxylic acid group, the interaction of zinc-phthalocyanine with colloidal ZnO and SnO(2) was studied by absorption and fluorescence spectroscopy. The apparent association constant for the association between ZnPcTyro and SnO(2)/ZnO is ranged from (3.7+/-0.

Microwave-assisted synthesis and anti-HIV activity of new acyclic C-nucleosides of 3-(D-ribo-tetritol-1-yl)-5-mercapto-1,2,4-triazoles. Part 1.

Microwave-assisted synthesis of novel acyclic C-nucleosides of 6-alkyl/aryl-3-(1,2-O-isopropylidene-D-ribo-tetritol-1-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoles (5-12) and the 6-aryl-thiomethyl analogues 25-27 has been described. Deblocking of 5-12 and 25-27 afforded the free acyclic C-nucleosides 13-20, and 28-30, respectively. All of the synthesized compounds showed no inhibition against HIV-1 and HIV-2 replication in MT-4 cells.

In-vitro anti-HIV and antitumor activity of new 3,6-disubstituted [1,2,4]triazolo[3,4-b][1,3,4]thiadiazoles and thiadiazine analogues.

A series of [1,2,4]triazolo[3,4-b][1,3,4]thiadiazoles (7-15) and the thiadiazine analogues 16-18 have been synthesized under microwave irradiation (MWI). All synthesized compounds are evaluated for their antiviral activity against the replication of HIV-1 and HIV-2 activity in MT-4. However, compounds 12 and 18 showed EC(50) = 2.

Nitroimidazoles. V. Synthesis and anti-HIV evaluation of new 5-substituted piperazinyl-4-nitroimidazole derivatives.

A series of 2-alkylthio-1-[4-(1-benzyl-2-ethyl-4-nitro-1H- -imidazol-5-yl)-piperazin-1-yl]ethanones (3-9) and alkyl-[4-(1-benzyl-2-ethyl-4-nitro-1H-imidazol-5-yl)-piperazin-1-yl)ketones (11-20) as well as the indole analogue 22 were synthesized from 4-nitro-5-piperazinyl imidazole derivative 1, with the aim to develop newly non-nucleoside reverse transcriptase inhibitors (NNRTIs). The newly synthesized compounds were assayed against HIV-1 and HIV-2 in MT-4 cells. Compound 4 showed inhibition of HIV-1 (EC50 0.

Synthesis, antitumor and antiviral properties of some 1,2,4-triazole derivatives.

A series of 1,5-dialkyl-1,2,4-triazole derivatives of acetic acid alkylidene hydrazides 8-12, the acid 13, 1,5-dialkyl-3-(5-mercapto-4-N-aryl-1H-[1,2,4]-triazol-3-ylmethylene)-1H-[1,2,4] triazoles 14-16, their 1,3,4-oxadiazole analogues 17-21, as well as the 1,2,4-triazolo-indoles 25 and 27 were prepared. The Z/E conformations of some acetic acid alkylidene derivatives were studied by NMR spectroscopy. Most of the target compounds were evaluated in a series of human cancer cell in cultures and none have shown activity except 25 which exhibited remarkable activity against nine cancer types.

DNA-directed alkylating agents: synthesis, antitumor activity and DNA affinity of bis-N,N'-trisubstituted 1,2,4-triazolo-piperazines.

A series of 1,4-bis-(1,5-dialkyl-1H-1,2,4-triazol-ylmethyl)piperazines and N-methyl-piperazine analogs were prepared spontaneously from the cycloaddition of various reactive cumulenes with the piperazino-1,4-(bis-ethanenitrile) and 1-cyanomethyl-4-methyl-piperazine, respectively. The new compounds were evaluated for their DNA affinity and antitumor activity.

Synthesis and properties of new substituted 1,2,4-triazoles: potential antitumor agents.

Cycloaddition of the reactive intermediates 4 with 1-(cyanomethyl)benzotriazole (5) and its N-2 isomer 9 furnished, after spontaneous rearrangements, the 1,2,4-triazole derivatives 8 and 10. Analogously, reaction of 4 with ethyl cyanoacetate lead to the 1,3,5-trisubstituted 1,2,4-triazoles 12, which gave on treatment with hydrazine the corresponding hydrazides 13. Treatment of 13d with galactose or phenyl isothiocayanate gave the 1-D-galactose-acylhydrazone 14 and the 1,2,4-triazole derivative 15, respectively.

Synthesis and antitumor activity of some new phthalimide analogues.

The reactive intermediate 1-(chloroalkyl)-1-aza-2-azoniaallene salts 3, which were prepared by treatment of the alpha,alpha'-dichloroazo derivatives 2 with SbCl5, underwent cycloaddition with the N-cyanoalkyl phthalimide compounds 4 and afforded the 1,2,4-triazolium salts 5. These salts rearranged spontaneously to the protonated 1,2,4-triazoles 6, followed by hydrolysis in situ to the 1,2,4-triazolo-alkyl-phthalimide compounds 7. The newly synthesized compounds were then evaluated for their antitumor activity in three cell lines.

Synthesis and antiviral activity of 1-[1,5-dialkyl-1H-1,2,4-triazol-3-yl)methyl]thymines.

Cycloaddition of the intermediates 2 with 1-(cyanomethyl)-thymine 3 furnished the 1,2,4-triazolium salts 4, which rearranged spontaneously to the protonated salts 5. Hydrolysis of 5, in situ, afforded the title compounds 6. Compounds 6a-c were screened against HIV-1 (IIIB), HIV-2 (ROD), and human cytomegalovirus (HMCV) and showed poor or no activity, respectively.