Recently, the occurrence of candidiasis has increased dramatically, especially in immunocompromised patients. Additionally, their treatment is often ineffective due to resistance yeasts antimycotics. Therefore, there a need search for new antifungals. A series nine newly synthesized thiazole derivatives containing cyclopropane system, showing promising activity against Candida spp., been further investigated. We decided verify antifungal towards clinical albicans isolated from oral cavity...

We have designed novel tropinone-thiazole derivatives that showed high antiproliferative activity against a variety of cancer cell lines via caspase 3/7 activation mechanism. Among the derivatives, compounds 3b-3h were found to exhibit human leukemia (MV4-11), lung carcinoma (A549), breast (MCF-7), and skin melanoma (B16-F10) lines, with IC50 values 5.43-11.06 μM. The lead compound 3g increases in A549 cells 25 times more than control, 2 reference drug camptothecin. also tyrosinase...

Cancer represents the main cause of morbidity and mortality worldwide, constituting a serious health problem. In this context, melanoma most aggressive fatal type skin cancer, with death rates increasing every year. Scientific efforts have been addressed to development inhibitors targeting tyrosinase enzyme as potential anti-melanoma agents due importance in melanogenesis biosynthesis. Coumarin-based compounds shown activity inhibitors. study, coumarin-based derivatives were designed,...

This work presents a rational synthesis of 14 innovative methyl salicylate based thiazole (MSBT) derivatives, designed as protein tyrosine phosphatase 1B (PTP1B) inhibitors with potent anticancer activity. Enzyme inhibition studies were performed for all compounds. In addition, molecular docking simulations and assessment antiproliferative activity the most active lot. For studies, cell lines breast cancer (T47D) non-small-cell lung carcinoma (A549), well healthy control human skin...

Arynes react with ethoxyacetylene to afford 2-ethoxyethynylaryl derivatives through a highly chemo- and regioselective formal insertion of the aryne into C(sp)−O(sp3) bond alkyne. Computational studies suggest that reaction does not proceed mechanism initiated by nucleophilic addition oxygen atom as previously proposed but triple alkyne aryne.

Synthesis and investigation of antifungal, anticonvulsant anti-Toxoplasma gondii activities ten novel (2-(cyclopropylmethylidene)hydrazinyl)thiazole 3a–3j are presented. Among the derivatives, compounds 3a–3d 3f–3j possess very high activity against Candida spp. ATCC with MIC = 0.015–7.81 µg/ml. Compounds also towards most strains isolated from clinical materials The these is similar even higher than nystatin used as positive control. Additionally, 3c 3e showed interesting in MES test,...

Abstract Synthesis and investigation of antimicrobial activity fifteen novel thiazoles containing cyclohexene moiety are presented. Among the derivatives, compounds 3a – 3d, 3f, 3n , 3o showed very strong against reference Candida spp. strains with MIC = 0.015–3.91 µg/ml. The these is similar even higher than nystatin used as positive control. Compounds 3d 3f highest effect towards most yeasts isolated from clinical materials 0.015–7.81 cytotoxicity studies for active that growth was...

Synthesis and investigation of anti-Toxoplasma gondii activity novel thiazoles containing benzo [b]thiophene moiety are presented. Among the derivatives, compound 3k with adamantyl group shows exceptionally high potency against Me49 strain IC50 (8.74 μM) value which is significantly lower than trimethoprim (IC50 39.23 μM). In addition, compounds 3a, 3b showed significant RH 51.88–83.49 The results cytotoxicity evaluation that Toxoplasma growth was inhibited at non-cytotoxic concentrations...

Synthesis and investigation of antimicrobial activity 22 novel thiazoles selenazoles derived from dihydro-2H-thiopyran-4(3H)-one are presented. Additionally, anticonvulsant six derivatives is examinated. Among the derivatives, compounds 4a-f, 4i, 4k, 4 l, 4n, 4o-s 4v have very strong against Candida spp. with MIC = 1.95-15.62 μg/ml. In case 4o, 4r 4s, some strains isolated clinical materials, 0.98 to 15.62 4n-v found be active Gram-positive bacteria 7.81-62.5 The results screening reveal...

Synthesis, characterization and investigation of in vivo anticonvulsant activities 13 novel cyclopentanecarbaldehyde-based 2,4-disubstituted 1,3-thiazoles are presented. Their structures were determined using (1)H (13)C NMR, FAB(+)-MS, HRMS elemental analyses. The results screening reveal that seven intraperitoneally administered compounds: 3a, 3b, 3d, 3e, 3f, 3k 3m containing F-, Cl-, Br-, CF3-, CH3- adamantyl substituents demonstrated significant activity the pentylenetetrazole model with...

A new series of hybrid compounds with tropinone and thiazole rings in the structure was designed synthesized as potential anticancer agents. They were tested against human multiple myeloma (RPMI 8226), lung carcinoma (A549), breast adenocarcinoma (MDA-MB-231), mouse skin melanoma (B16-F10) cell lines. Toxicity on normal fibroblasts (HSF) colon (CCD-18Co). The growth inhibition mechanism most active derivative analyzed through investigation its effect distribution cycle phases ability to...

Synthesis, characterization and investigation of antibacterial antifungal activities twelve camphor based 2,4-disubstituted 1,3-thiazoles is presented. Their structures were determined using NMR, IR, FAB MS HRMS analyses. Among the derivatives, 3i 5 found to exhibit comparable that fluconazole ciprofloxacin against yeast belonging Candida spp., MIC 0.12-0.98 μg/ml Gram-positive bacteria including both pathogenic S. aureus opportunistic epidermidis, 0.98-7.81 μg/ml, B. subtilis cereus,...

Synthesis, characterization and investigation of antiproliferative activity eight thiazole-based nitrogen mustard against human cancer cells lines (MV4-11, A549, HCT116 MCF-7) normal mouse fibroblast (BALB/3T3) are presented. Their structures were determined using NMR, FAB MS, HRMS elemental analyses. Among the derivatives, 3a, 3b, 3e 3h found to exhibit high leukemia MV4-11 with IC50 values 0.634-3.61 µg/ml. The cytotoxic compound 3a BALB/3T3 is up 40 times lower than cell lines. Our data...

Details of generation the optical rotation prediction (ORP) basis set developed for accurate (OR) calculations are presented. Specific carried out at density functional theory (DFT) level model chiral methane molecule, fluorooxirane, methyloxirane, and dimethylmethylenecyclopropane reveal that ORP outperforms larger sets, among them aug-cc-pVTZ Dunning (J. Chem. Phys. 1989, 90, 1007) aug-pc-2 Jensen 2002, 117, 9234; J. Theory Comput. 2008, 4, 719). It is shown to be an attractive choice also...

Synthesis, characterization, and investigation of antiproliferative activities against human cancer cell lines (MV4-11, MCF-7, A549) Toxoplasma gondii parasite twelve novel 2,4-diaminotriazine-thiazoles are presented. The toxicity the compounds was studied at three different types, normal mouse fibroblast (Balb/3T3), (L929), VERO cells. structures were determined using 1H 13C NMR, FAB(+)-MS, elemental analyses. Among derivatives, 4a-k showed very high activity MV4-11 line with IC50 values...

We have carried out extensive studies on the basis set dependence of calculated specific optical rotation (OR) in molecules at level time-dependent Hartree-Fock and density functional approximations. To reach limits saturation, we devised an artificial model, asymmetrically deformed (chiral) methane (CM) molecule. This small system permits to use sets which are prohibitively large for real chiral yet shows all important features OR values. The convergence has been studied with n-aug-cc-pVXZ...

Background: Synthesis, characterization and investigation of antibacterial activity ten novel Schiff base derivatives 4-formylbenzoic acid is presented. Their structures were determined using 1H 13C NMR, EI(+)-MS elemental analyses. Additionally, DFT calculations interaction energies in complexes the drugs DNA bases are carried out. Objective: Design synthesis thiazole with benzoic scaffold to obtain compounds an improved activity. Method: The examined screened vitro for broth microdilution...

Synthesis, characterization and investigation of antifungal antibacterial activities fourteen 2,4- disubstituted 1,3-selenazoles is presented. Their structures were determined using 1H 13C NMR, FAB MS HRMS analyses. Among the derivatives, compounds 5, 6, 8, 9, 12, 13 15 had very strong activity against reference strains C. albicans ATCC 10231 parapsilosis 22019 with MIC = 0.24-7.81 µg/ml. The showed also clinical isolates belonging to non-albicans Candida spp. strains, i.e. krusei,...

A series of 3,3-diethylazetidine-2,4-dione based thiazoles 3a-3j were designed and synthesized as new human neutrophil elastase (HNE) inhibitors in nanomolar range. The representative compounds 3c, 3e, 3h exhibit high HNE inhibitory activity with IC50 values 35.02-44.59 nM, mixed mechanism action. Additionally, the most active 3c 3e demonstrate stability under physiological conditions. molecular docking study showed good correlation binding energies values, suggesting that inhibition...