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1.
Gökçe Cihan-Üstündağ Dilek Şatana Gül Özhan Gültaze Çapan 《Journal of enzyme inhibition and medicinal chemistry》2016,31(3):369-380
A new series of indolylhydrazones (6) and indole-based 4-thiazolidinones (7, 8) have been designed, synthesized and screened for in vitro antitubercular activity against Mycobacterium tuberculosis H37Rv. 4-Thiazolidinone derivatives 7g–7j, 8g, 8h and 8j displayed notable antituberculosis (anti-TB) activity showing 99% inhibition at MIC values ranging from 6.25 to 25.0?µg/ml. Compounds 7g, 7h, 7i, 8h and 8j demonstrated anti-TB activity at concentrations 10-fold lower than those cytotoxic for the mammalian cell lines. The indolylhydrazone derivative 6b has also been evaluated for antiproliferative activity against human cancer cell lines at the National Cancer Institute (USA). Compound 6b showed an interesting anticancer profile against different human tumor-derived cell lines at sub-micromolar concentrations with obvious selectivity toward colon cancer cell line COLO 205. 相似文献
2.
《Journal of enzyme inhibition and medicinal chemistry》2013,28(5):734-741
Polypyridyl chlororuthenium(II) complexes have been synthesized and characterized. The binding mode of the complexes to DNA has been evaluated from the combined results of electronic absorption spectroscopy and viscosity measurement study. The results suggest that complexes 1, 2 and 3 bind to DNA via classical intercalation, electrostatic interaction and partial intercalation mode, respectively. Complex 2 shows less affinity for DNA. Cleavage of pUC19 DNA by complexes has been checked using gel electrophoresis. The data disclose that complex 1 has the highest cleaving ability. 相似文献
3.
Michel Legraverend Anne-Marie Aubertin Georges Obert Christiane Huel Emile Bisagni 《Nucleosides, nucleotides & nucleic acids》2013,32(4):915-923
Abstract Three analogues of Carbovir 1 have been synthesized and evaluated for antiviral activity in vitro. Anti-HIV-1 and anti-HIV-2 activities have been observed with 7-deaza analogues 3 and 5 of 1. Compound 5 was about ten times more potent than 3 against HIV-1 and HIV-2 on different cell lines. 相似文献
4.
《Journal of enzyme inhibition and medicinal chemistry》2013,28(3):353-361
AbstractA novel proton transfer compound (HABT)+(Hdipic)? (1) obtained from ABT and H2dipic and its metal complexes (2–5) have been prepared and characterized by spectroscopic techniques. Single crystal X-ray diffraction method has also been applied to 2 and 5. While complex 2 has a distorted octahedral conformation, 5 exhibits a distorted square pyramidal structure. The structures of 3 and 4 might be proposed as octahedral according to experimental data. All compounds were also evaluated for their in vitro inhibition effects on hCA I and II for their hydratase and esterase activities. Although there is no inhibition for hydratase activities, all compounds have inhibited the esterase activities of hCA I and II. The comparison of the inhibition studies of 1–5 to parent compounds indicates that 1–5 have superior inhibitory effects. The inhibition effects of 2–5 are also compared to inhibitory properties of the metal complexes of ABT and H2dipic, revealing an improved transfection profile. 相似文献
5.
Giordano C Lucente G Masi A Paglialunga Paradisi M Sansone A Spisani S 《Amino acids》2007,33(3):477-487
Summary. For-Met-βAlaψ[CSNH]-Phe-OMe (3), For-Met-βAlaψ[CH2NH]-Phe-OMe (5), For-Met-NH-pC6H4-SO2-Phe-OMe (8a), For-Met-NH-mC6H4-SO2-Phe-OMe (8b) and the corresponding N-Boc precursors (2, 4, 7a, b) have been synthesized and their activity towards human neutrophils has been evaluated in comparison with that shown by the
reference tripeptide For-Met-Leu-Phe-OMe (fMLF-OMe). Chemotaxis, lysozyme release and superoxide anion production have been
measured. 1H NMR titration experiments and IR spectra have been discussed in order to ascertain the preferred solution conformation adopted
by the tripeptide 3 with particular reference to the presence of a folded conformation centred at the centrally positioned thionated β-residue. 相似文献
6.
S. A. Ranade Anil Kumar Mamta Goswami Nuzhat Farooqui P. V. Sane 《Journal of biosciences》1997,22(4):457-464
Amaranths are an important group of plants and include grain, vegetable and ornamental types. Despite the economic importance
of the amaranths, there is very little information available about the extent and nature of genetic diversity present in the
genus
Amaranthus
at molecular level. We now report the randomly amplified polymorphic DNA (RAPD) profiles of different species of
Amaranthus
as well as different accessions of the species. These RAPD analyses have been carried out using 65 arbitrary sequence decamer
primers. From the RAPD data, an UPGMA dendrogram illustrating the inter-as well as intra-species relationships has been computed.
The putative hybrid origin of A.dubious
from
A. hybridus
and
A. spinosus
is also ruled out by the RAPD data. The trends of species relationships amongst the amaranths determined by RAPDs is consistent
with their cytogenetic and evolutionary relationships that have already been determined.
NBRI Communication No:464 (N.S.). 相似文献
7.
Yi Zhang Chang-Zhong Liu Xiao-Jun Li Zi-Liang Wang Hai-Tang Zhang Zhi-Guo Miao 《Journal of molecular modeling》2010,16(8):1369-1376
The radicals and anions generated from chlorpyrifos by removing a hydrogen atom have been investigated using the hybrid density
functional B3PW91 method. The results show that all the radicals have been classified as three groups and their stability
order is methylene (radical 1, 3, 5, and 7) > methyl (radical 9, 11 and 13) > ring (15); the anions have the relative energetic order: methyl > methylene > ring. Moreover, some decomposition reactions are also
reported. The large HOMO-LUMO gaps indicate that both radicals and anions are predicted to be high-kinetic stable molecules.
We also find that radicals 9, 11 and 13 have the highest AEAs and anions 2, 4 and 6 have higher VDEs. Additionally, natural population analysis charges show that there is the lowest Δq (0.14) for the C7 and C9 atoms. We hope that our theoretical results may provide a reference for further experiment and practical
application. 相似文献
8.
《Journal of enzyme inhibition and medicinal chemistry》2013,28(6):1332-1335
Barlerisides A (1) and B (2), new phenolic glycosides, have been isolated from the n-butanol soluble sub-fraction of Barleria acanthoides along with two known compounds acteoside (3) and p-hydroxycinnamic acid (4). Their structures have been assigned on the basis of spectral studies. Both 1 and 2 showed significant activity in the superoxide scavenging assay while weak inhibitory activity was observed against the enzyme xanthine oxidase. 相似文献
9.
Najim A. Al-Masoudi Yaseen A. Al-Soud 《Nucleosides, nucleotides & nucleic acids》2013,32(9):1034-1044
A new series of acyclic C-nucleosides 1′,2′-O-isopropylidene-D-ribo-tetritol-1-yl)[1,2,4] triazolo[3,4-b][1,3,4]thiadiazoles bearing arylsulfonamide (5–8) and arylcarboxamide (9–12) residues have been synthesized under microwave irradiation. Thiadiazines 13–15 have been analogously prepared, and upon acid hydrolysis, afforded the free nucleosides 16–18. The new synthesized compounds were assayed against HIV-1 and HIV-2 in MT-4 cells. Compound 7 was also screened against a panel of tumor cell lines consisting of CD4 human T-cells. 相似文献
10.
Abstract Thymidine derivatives containing carboxylic acid and amide groups have been synthesized and the hydrogen-bonding patterns of 3′-C-methylenecarboxylic-3′-deoxythymidine 6 and 3′-C-methyleneamidilylic-3′-deoxythymidine 9 have been characterized by using X-ray crystallography. 相似文献
11.
Hiromichi Yoshikawa Mariko Yasuda Akinori Hirashima Kohei Oshima Morifusa Eto 《Bioscience, biotechnology, and biochemistry》2013,77(6):1447-1449
The four sesquiterpenes shizukanolide (1), dehydro-shizukanolide (2), glechomanolid (3) and isofuranodiene (4) were isolated from Chloranthus japonicus Sieb. (Hitori-shizuka in Japanese, Chloranthaceae). Their absolute structures have been established on the basis of their physical and chemical properties. Dehydro-shizukanolide showed moderate antifungal activity. 相似文献
12.
Gholam Abbas Kasaei Hooriye Yahyaei Seiedeh Negar Mousavi Elham Pourdavoodi 《Molecular simulation》2013,39(12):1022-1031
2-Methoxytetrahydropyran (1), -thiopyran (2) and -selenopyran (3) have been chosen as model compounds to investigate the origin of the anomeric effect (AE). The impacts of the hyperconjugation, electrostatic and steric interactions on the conformational preferences of compounds 1–3 have been analysed by means of complete basis set-4, hybrid-density functional theory (B3LYP/6-311+G**) based methods and natural bond orbital (NBO) interpretation. Both levels of theory showed that the axial conformations of compounds 1–3 are more stable than their equatorial conformations. The Gibbs free energy difference (G eq–G ax) values (i.e. ΔG eq–ax) between the axial and equatorial conformations increase from compound 1 to compound 2 but decrease from compound 2 to compound 3. Based on the NBO results obtained, the AE associated with the electron delocalisation [i.e. Σ(endo-AEeq + exo-AEeq) ? Σ(endo-AEax + exo-AEax)] increase slightly from compound 1 to compound 2 but decrease from compound 2 to compound 3. Similar trend is also observed for the differences between the calculated total steric exchange energy values [i.e. Δ(TSEE)eq–ax]. On the other hand, the calculated differences between the dipole moment values of the axial and equatorial conformations [i.e. Δ(μeq–μax)] decrease from compound 1 to compound 3. These findings led to the proposal that the AE associated with the electron delocalisation (the hyperconjugation effect) is more significant for the explanation of the conformational preferences of compounds 1–3 than the electrostatic model. The correlations between the AE associated with the electron delocalisation, bond orders, TSEE, ΔG eq–ax, dipole–dipole interactions, structural parameters and conformational behaviours of compounds 1–3 have been investigated. 相似文献
13.
《Journal of enzyme inhibition and medicinal chemistry》2013,28(5):695-701
AbstractA novel proton transfer compound (HMeOABT)?+?(HDPC)? (1) and its Fe(III), Co(II), Ni(II) and Cu(II) complexes (2–5) have been prepared and characterized by spectroscopic techniques. Complex 4 has distorted octahedral conformation revealed by single crystal X-ray diffraction method. Structures of the other complexes might be proposed as octahedral according to experimental data. All compounds were also evaluated for their in vitro inhibition effects on hCA I and II for their hydratase and esterase activities. Although there is no inhibition for hydratase activities, all compounds have inhibited the esterase activities of hCA I and II. Data have been analyzed by using a one-way analysis of variance. The comparison of the inhibition studies of 1–5 to parent compounds indicates that 1–5 have superior inhibitory effects. The inhibition effects of 2–5 are also compared to inhibitory properties of the metal complexes of MeOABT and H2DPC, revealing an improved transfection profile. 相似文献
14.
M. I. Khan Musa Kaleem Baloch Muhammad Ashfaq 《Journal of enzyme inhibition and medicinal chemistry》2013,28(3):343-350
Six novel triorganotin(IV) 2-maleimidopropanoato complexes: R3SnOCOCH3(CH)(COCH)2, (R: Me(1), Et(2), n-Pr(3), n-Bu(4), Ph(5), Bz(6) have been synthesized. Their solid-state configuration has been determined by FT IR and 119mSn Mössbauer spectroscopy. The tin(IV) atom is five-coordinated in all the complexes with 2-maleimidopropanoic acid behaving as a monoanionic bidentate ligand coordinating the tin(IV) atom through a chelating or bridging carboxylate group. The solution-state configuration has been elucidated by means of 1H-, 13C- and 119Sn-NMR spectroscopy which assigned a tetrahedron. Elemental analysis and FAB MS data also supported a 1:1 metal to ligand stoichiometry. The title complexes have been screened in vitro for anti-tumour, anti-fungal, anti-leishmanial and urease inhibition activities and displayed promising results. 相似文献
15.
《Nucleosides, nucleotides & nucleic acids》2013,32(5-8):1215-1217
Abstract Three PNA-DNA chimeric dimer synthons (tT, upT and uhT, see Sch. 1) have been synthesized in solution and used to make T20-analogue chimeras applying standard solid-phase DNA synthesis protocol. Duplex forming ability of chimeras with dA20 and their hydrolyses by 3′- and 5′-exonucleases (snake venom and bovine spleen phosphodiesterase, respectively) have been investigated. 相似文献
16.
Noriaki Minakawa Akira Matsuda Tohru Ueda Takuma Sasaki 《Nucleosides, nucleotides & nucleic acids》2013,32(8):1067-1078
Abstract 5-Ethynyl-1-(2-deoxy-β-D-ribofuranosyl)imidazole-4-carbonitrile (4) and -carboxamide (5) and 5-ethynyl-1-(5-deoxy-β-D-ribofuranosyl)imidazole-4-carbonitrile (11) and -carboxamide (12) have been synthesized from the corresponding 5-iodo derivatives 2 and 7 by a palladium-catalyzed cross-coupling reaction with (tri-methylsilyl)acetylene. The aglycons, 5-ethynylimidazole derivatives 14 and 15 were synthesized by the hydrolytic cleavage of the corresponding nucleosides. The antileukemic activity of these nucleosides and base analogues are also described. 相似文献
17.
Pia N⊘ncgaard J⊘rgensen Margit L. Svendsen Claus Nielsen Jesper Wengel 《Nucleosides, nucleotides & nucleic acids》2013,32(3-5):921-924
Abstract The stereoselective synthesis of 3′-C-hydroxymethylthymidine (5) in five steps from thymidine has been accomplished and this nucleoside has been incorporated into oligodeoxynucleotides (ODNs) in different ways. 相似文献
18.
Barbara?Biondi Elisa?Giannini Lucia?Negri Pietro?Melchiorri Roberta?Lattanzi Federica?Rosso Luigi?Ciocca Raniero?Rocchi
Summary Syntheses are described of new endomorphin 1 and 2 peptoid–peptide hybrids in which Tyr1 and either one or both Phe3 and Phe4 have been replaced by N-substituted-glycine. The preparation is also described of two glycosylated Hyp2-endomorphin 2 analogues in which either 2,3,4,6-tetra-O-acetyl glucose or glucose are β-O-glycosidically linked to the hydroxyproline residue. The Hyp2-endomorphin sequences have also been elongate by adding a C-terminal β-alanine residue and several linear dimers have been prepared by coupling either the native peptides or the modified analogues. The cyclo endomorphin 2 has also been synthesized. Preliminary pharmacological experiments on isolated organ preparations showed that the agonist activities of both endomorphin 1 and 2 are not significantly affected by the Pro/Hyp substitution. Phe4/Nphe substitution in the endomorphin 1 reduced the potency on guinea pig ileum (GPI) by about 100 times and abolished the agonist activity on mouse vas deferens (MVD) preparation. The decrease of the agonist activity induced by modification of one phenylalanine residue only, either Phe3 or Phe4, is lower on endomorphin 2. Either modification of both Phe3 and Phe4 or glycosylation of the Hyp2-endomorphin 2 cancelled any agonist activity on both preparations. The linear peptide dimers [endomorphin 1]2, [endomorphin 2]2, [Hyp2-endomorphin 1]2, [Hyp2-endomorphin 2]2, [Hyp2-endomorphin 1-Hyp2-endomorphin 2]2 or [Hyp2-endomorphin 2-Hyp2-endomorphin 1]2, are 7–19 times less potent than endomorphin 1 on GPI and significantly less active than endomorphins 1 and 2 on MVD. The other afforded modifications significantly affected or abolished the agonist activity of the resulting endomorphin analogues on both GPI and MVD preparations.The α-amino acid residues are of the L-configuration. Standard abbreviations for amino acid derivatives and peptides are according to the suggestions of the IUPAC-IUB Commission on Biochemical Nomenclature (1984) Eur. J. Biochem., 138, 9–37. Abbreviations listed in the guide published in (2003) J. Peptide Sci., 9, 1–8 are used without explanation. 相似文献
19.
《Journal of enzyme inhibition and medicinal chemistry》2013,28(6):893-899
Various pyrazolo[3,4-d]pyrimidines carrying a variety of substituents in the 6-position have been synthesised and their ability to inhibit growth of Mycobacterium tuberculosis in vitro has been determined. Compounds 5a, 5b, 6c, 7a, 7b, 8d, 8e and 8f demonstrated a minimum inhibitory concentration (MIC) of <6.25?µg/mL and were found to be active against Mycobacterium tuberculosis strain H37RV. Compound 8d was found to be the most active compound in vitro with a MIC of <6.25?µg/mL and inhibitory concentration IC90 of 1.53?µg/mL. 相似文献
20.
Marzieh Anjomshoa Masoud Torkzadeh-Mahani Mehdi Sahihi Corrado Rizzoli Mehdi Ansari Jan Janczak 《Journal of biomolecular structure & dynamics》2013,31(15):3887-3904
AbstractTwo nickel(II) complexes with substituted bipyridine ligand of the type [Ni(NN)3](ClO4)2, where NN is 4,4′-dimethyl-2,2′-bipyridine (dimethylbpy) (1) and 4,4′-dimethoxy-2,2′-bipyridine (dimethoxybpy) (2), have been synthesized, characterized, and their interaction with DNA and bovine serum albumin (BSA) studied by different physical methods. X-ray crystal structure of 1 shows a six-coordinate complex in a distorted octahedral geometry. DNA-binding studies of 1 and 2 reveal that both complexes sit in DNA groove and then interact with neighboring nucleotides differently; 2 undergoes a partial intercalation. This is supported by molecular-docking studies, where hydrophobic interactions are apparent between 1 and DNA as compared to hydrogen bonding, hydrophobic, and π–π interactions between 2 and DNA minor groove. Moreover, the two complexes exhibit oxidative cleavage of supercoiled plasmid DNA in the presence of hydrogen peroxide as an activator in the order of 1?>?2. In terms of interaction with BSA, the results of spectroscopic methods and molecular docking show that 1 binds with BSA only via hydrophobic contacts while 2 interacts through hydrophobic and hydrogen bonding. It has been extensively demonstrated that the nature of the methyl- and methoxy-groups in ligands is a strong determinant of the bioactivity of nickel(II) complexes. This may justify the above differences in biomolecular interactions. In addition, the in vitro cytotoxicity of the complexes on human carcinoma cells lines (MCF-7, HT-29, and U-87) has been examined by MTT assay. According to our observations, 1 and 2 display cytotoxicity activity against selected cell lines.Communicated by Ramaswamy H. Sarma 相似文献