Ligand-protein interakcije 3-(1-(3-hidroksipropilamino)etiliden)hroman-2,4-diona sa humanim C reaktivnim proteinom

The structure of the newly synthesized coumarin derivative, 3-(1-(3-hydroxypropylamino)-ethylidene)-chroman-2,4-dione, was investigated theoretically. The density functional theory calculations, with B3LYP functional (and with empirical dispersion corrections D3BJ) in combination with the 6–311+G(d,p) basis set, are performed in order to optimized the molecular structure of the investigated coumarin derivative. Molecular docking analysis was carried out in order to identify the potency of inhibition of the title molecule against human C-reactive protein. The inhibition activity was obtained for ten conformations of ligand inside protein.Struktura novo sintetisanog derivata kumarina, 3- (1- (3-hidroksipropilamino) -etiliden) -hroman-2,4-diona, ispitana je primenom teorijskih metoda. Za optimizaciju strukture ispitivanog kumarinskog derivata korišćena je teorija funkcionalne gustine: B3LYP funkcional ( sa empirijskim ispravkama disperzije D3BJ) u kombinaciji sa 6-311+G(d, p) bazisnim setom. Urađen je molekulski doking, kao i analiza dobijenih rezultata kako bi se utvrdio potencijal inhibicije molekula ispitivanog jedinjenja prema humanom C-reaktivnom proteinu. Aktivnost inhibicije izračunata je za deset potencijalnih konformacija liganda unutar proteina

Cytotoxicity of Platinum(Iv) and Palladium(Ii) Complexes with Meso-1,2-Diphenyl-Ethylenediamine-N,N -Di-3-Propanoic Acid. Crystal Structure of [Pd(1,2-Dpheddp)] Complex

The syntheses of tetradentate ligand, meso-1,2-diphenyl-ethylenediamine-N,N-di-3-propanoic acid (H-2-1,2-dpheddp) and corresponding platinum(IV) and palladium(II) complexes are reported here. The spectroscopically predicted structure of the obtained palladium(II) complex was confirmed by X-ray analysis. Singe crystals suitable for X-ray measurements were obtained by slow crystallization from a DMSO-water mixture. Cytotoxic effects of platinum(IV), palladium(II) complexes and cisplatin on the 4T1 and Bl6F1 cell lines were determined using the MTT colorimetric technique. The complexes showed a dose dependence on cytotoxic effect toward both cell lines. Both complexes were less active than cisplatin, the exception was concentrations above 62.5 mu M of platinum(IV) complex in the B16F1 cell line

Synthesis and characterization of meridional isomer of uns-cis-(ethylenediamine-N-N'-di-3-propionato)-(S-norleucinato)cobalt(III) semihydrate

The meridional geometrical isomer of uns-cis-(ethylenediamine-N-N'-di-3-propionato)(S-norleucinato)cobalt(III) complex has been prepared by the reaction of sodium uns-cis-(ethylenediamine-N-N'-di-3-propionato)(carbonato)cobaltate(III) with S-norleucine at 75°C. The complex was isolated choromatographically and characterized by elemental analyses, electron absorption and infrared spectroscopy

Antibakterijska aktivnost Platina (ii) i Paladijum(ii) kompleksa sa alkil estrima (s,s)-etilendiamin-n,n'-di-(2,2'-di(4-hidroksi)-benzil sirćetne kiseline

Antibiotics are used to treat many infections which are causing by different microorganisms. The vast majority of cases where antibiotics are used, the microorganisms have found a way to evade or resist the antimicrobial agent [1,2]. The work was conceived with the intention to investigate the antibacterial activity of newly synthesized ligands and complexes [3] on the selected bacterial strains with the aim to find potential synthetic preservatives.Antibakterijska sredstva se koriste u lečenju mnogih infekcija koje uzrokuju različiti mikroorganizmi. U najvećem broju slučajeva, u kojima se koriste antibakterijska sredstva, mikroorganizmi su pronašli način da se odupru ili izbegnu antimikrobni agens [1,2]. Rad je koncipiran sa namerom da ispita antibakterijsku aktivnost novosintetisanih i liganada i kompleksa [9] na odabranim bakterijskim sojevima u cilju pronalaženja novih potencijalnih sintetičkih konzervanasa

The synthesis and characterization of facial and meridional isomers of uns-cis-(ethylenediamine-N-N-di-3-propionato) cobalt(III) complexes with S-lysine and S-histidine

In the reaction of sodium uns-cis-(ethylenediamine-N-N-di-3-propionato)-(carbonato)cobaltate(III) dihydrate and the corresponding amino acid (S-lysine or S-histidine) at 70"C, both the theoretically possible facial and meridional isomers of the uns-cis-(ethylenediamine-N-N-di-3-propionato)(aminoacidato)cobalt(III) complexes were prepared. The complexes were isolated chromatographically and characterized by elemental analyses, as well as by electron absorption and infrared spectroscopy

Stereospecific ligands and their complexes. Part XIV. Crystal structure of the O,O′-dipropyl ester of N,N′-1,2-ethanediylbis- -L-leucine, dihydrochloride

Bidentate N,N'-ligand precursor, O,O'-dipropyl ester of (S,S)- ethylenediamine-N,N'-di-2-(4-methyl)-pentanoic acid dihydrochloride, [(S,S)- H4eddl]Cl2, was prepared and its crystal structure is given herein. It crystallizes in a P42 space group of tetragonal crystal system with a = 16.5620 (2) Å, b = 16.5620 (2) Å, c = 5.2240 (1) Å and Z = 2.The authors are grateful for the financial support to the Ministry of Education, Science and Technological Development of the Republic of Serbia (Project No. 172016).Peer reviewe

Stereospecific ligands and their complexes. Part XV. Synthesis, characterization and cytotoxicity of novel platinum(IV) complexes with some esters of ethylenediamine-N,,N’N′-di-S,,S-(2,2′’-dibenzyl)acetic acid. Crystal structure of O,,O′’-dipropyl-ethylenediamine--N,,N′’-di-S,,S-(2,2′’-dibenzyl)acetate dihydrochloride

et al.The synthesis of ethylenediamine-N,,N′’-di-S,,S-(2,2′’-dibenzyl)acetic acid (H2-S,,S-eddba) and its ethyl-, propyl-, butyl- esters (R2-S,,S-eddba) are reported here. The esters were used for synthesis of the corresponding platinum(IV) complexes, [PtCl4(R2-S,,S-eddba)]. The compounds were characterized by elemental analysis, infrared, 1H and 13C NMR spectroscopy. The structure of propyl ester of H2-S,,S-eddba was confirmed by single-crystal X-ray analysis. All [PtCl4(R2-S,,S-eddba)] complexes displayed significantly higher in vitro cytotoxicity in comparison to cisplatin.This work was supported by the Ministry of Education and Science of the Republic of Serbia, Projects No. 172016, 175069 and 172035.Peer Reviewe