• Title/Summary/Keyword: hydrogen bonding interactions

Search Result 114, Processing Time 0.02 seconds

3,5-Bis(aminopyrimidinyl)indole Derivatives: Synthesis and Evaluation of Pim Kinase Inhibitory Activities

  • Lee, Jinho;More, Kunal N.;Yang, Seun-Ah;Hong, Victor S.
    • Bulletin of the Korean Chemical Society
    • /
    • v.35 no.7
    • /
    • pp.2123-2129
    • /
    • 2014
  • Pim kinases are promising targets in the treatment of hematopoietic and solid cancers. Meridianin C was chosen as a starting point to discover novel pim kinase inhibitors. Using known pim kinase's structural information, aminopyrimidine was introduced to provide the hydrogen-bonding interactions with the conserved lysine residue in the ATP binding pocket of all three Pim kinases. Synthesized 3,5-bis(aminopyrimidinyl)indole derivatives showed pan-pim inhibitory activity. Aminoalkyl substituent was attached on the aminopyrimidine to further enhance the potency and physicochemical properties of compound. The research reveals a significative way of designing compounds with high potency and kinase selectivity for pan-pim kinases.

Consideration of Long and Middle Range Interaction on the Calculation of Activities for Binary Polymer Solutions

  • Lee, Seung-Seok;Bae, Young-Chan;Sun, Yang-Kook;Kim, Jae-Jun
    • Macromolecular Research
    • /
    • v.16 no.4
    • /
    • pp.320-328
    • /
    • 2008
  • We established a thermodynamic framework of group contribution method based on modified double lattice (MDL) model. The proposed model included the long-range interaction contribution caused by the Coulomb electrostatic forces, the middle-range interaction contribution from the indirect effects of the charge interactions and the short-range interaction from modified double lattice model. The group contribution method explained the combinatorial energy contribution responsible for the revised Flory-Huggins entropy of mixing, the van der Waals energy contribution from dispersion, the polar force, and the specific energy contribution from hydrogen bonding. We showed the solvent activities of various polymer solution systems in comparison with theoretical predictions based on experimental data. The proposed model gave a very good agreement with the experimental data.

Green synthesis of aluminum-based metal organic framework for the removal of azo dye Acid Black 1 from aqueous media

  • Jung, Kyung-Won;Choi, Brian Hyun;Lee, Seon Yong;Ahn, Kyu-Hong;Lee, Young Jae
    • Journal of Industrial and Engineering Chemistry
    • /
    • v.67
    • /
    • pp.316-325
    • /
    • 2018
  • Aluminum based metal-organic framework using a di-carboxylate linker succinic acid (Al-SA MOF), are synthesized in water with minimal generation of secondary pollutants. The physicochemical properties of Al-SA MOF were examined, followed by its utility for the adsorption of Acid Black 1 (AB1) in aqueous media. Influences of key parameters such as pH, contact time, initial AB1 concentration,temperature, and selectivity on the adsorption process were assessed. A series of adsorption mechanisms are proposed, which involve electrostatic, hydrogen bonding, and hydrophobic interactions. These findings suggest that Al-SA MOF is a potent candidate in removing complex azo dyes molecules from aqueous media.

Synthesis, Crystal structure, and Magnetic Properties of Dinuclear Iron(III) Complexes with Methoxo Bridges

  • Shin, Jong-Won;Han, Jeong-Hyeong;Rowthu, Sankara Rao;Kim, Bong-Gon;Min, Kil-Sik
    • Bulletin of the Korean Chemical Society
    • /
    • v.31 no.12
    • /
    • pp.3617-3622
    • /
    • 2010
  • The reaction of stoichiometric amount of $FeCl_2{\cdot}4H_2O$, (2-pyridylmethyl, 3-pyridylmethyl)amine (2,3-pyma) and sodium azide/sodium thiocyanate in methanol under aerobic conditions affords the dinuclear Fe(III) complexes, [(2,3-pyma) $(N_3)_2Fe({\mu}-OCH_3)_2Fe(N_3)_2$(2,3-pyma)]${\cdot}CH_3OH$ (1) and [(2,3-pyma)$(NCS)_2Fe({\mu}-OCH_3)_2Fe(NCS)_2$(2,3-pyma)] (2) in good yield. Two bis-methoxy-bridged diiron(III) complexes are isolated and characterized. The coordination geometries around iron(III) ions in 1 and 2 are the same tetragonally distorted octahedron. The iron(III) ions are coordinated by two nitrogens of a 2,3-pyma, two nitrogens of two azide/thiocyanate ions, and two oxygens of two methoxy groups. Both compounds are isomorphous. The structures of 1 and 2 display the C-$H{\cdots}\pi$ and/or $\pi-\pi$ stacking interactions as well as hydrogen bonding interactions, respectively. Compounds 1 and 2 show significant antiferromagnetic couplings through the bridged methoxy groups between the iron(III) ions in the temperature range from 5 to 300 K ($H=-2JS_1{\cdot}S_2$, J=-19.1 and $-13.9\;cm^{-1}$ for 1 and 2).

Production of Protein Hydrolyzate, that can be used as Food Additives, from Okara (산업폐기물인 비지로부터 식품첨가물로 이용할 수 있는 단백질 가수분해물의 생산)

  • Woo, Eun-Yeol;Kim, Min-Jung;Shin, Weon-Sun;Lee, Kyung-Ae;Kim, Kang-Sung
    • Korean Journal of Food Science and Technology
    • /
    • v.33 no.6
    • /
    • pp.769-773
    • /
    • 2001
  • Protein content of okara and soybean were found to be 37.3% and 42.5%, respectively by micro-Kjeldahl analysis. Solubility of okara protein in phosphate buffer (pH 8) was 10% versus soy protein of 68.4%. Insolubilization of okara protein was mostly due to disulfide bonding between cysteine residues caused by excessive heat treatment during soymilk processing: hydrophobic interactions and hydrogen bondings were involved to lesser extent. Optimum extraction temperature and time were $60^{\circ}C$ and 40 min. Typical solubility profile of soy protein disappeared for okara protein though minimum solubility of the protein was around pH 3.0. Treating okara with protease was effective in solubilizing okara protein and solubility increased to 19.2%. Optimum reaction temperature and time were $80^{\circ}C$ and 50 min, respectively. Cell wall degrading enzyme did not increase solubility of the protein, however. Through enzymatic reaction okara protein could be effectively solubilized for uses as food ingredient.

  • PDF

3',4'-Dihydroxyl Groups in Luteolin are Important for Its Inhibitory Activities against ADAMTS-4

  • Choi, Ji-Won;Jeong, Ki-Woong;Kim, Jin-Kyoung;Chang, Byung-Ha;Lee, Jee-Young;Kim, Yang-Mee
    • Bulletin of the Korean Chemical Society
    • /
    • v.33 no.9
    • /
    • pp.2907-2909
    • /
    • 2012
  • A disintegrin and metalloprotease with thrombospondin domains (ADAMTS) are a member of peptidase and involved in processing of von Willebrand factor as well as cleavage of aggrecan, versican, brevican and neurocan. Among 19 subfamilies of human ADAMTS, ADAMTS-4 is a zinc-binding metalloprotease and is a famous therapeutic target for arthritis. It has been reported that a flavonoid luteolin shows inhibitory activity against ADMATS-4. In this study, we verified that luteolin is a potent inhibitor of ADAMTS-4 and probed the molecular basis of its action. On the basis of a docking study, we proposed a binding model between luteolin and ADAMTS-4 in which 3',4'-dihydroxyl groups in luteolin formed hydrogen bonding with ADMATS-4 and these interactions are important for its inhibitory activity against ADAMTS-4.

Synthesis and Crystal Structure of 1,3-Diazatricyclo[5.3.1.$0^{5,11}$] undecane-2,4-dione (1,3-Diazatricyclo[5.3.1.$0^{5,11}$ undecane-2,4-dione의 합성과 결정구조)

  • 김정욱;윤호섭
    • Korean Journal of Crystallography
    • /
    • v.5 no.2
    • /
    • pp.100-107
    • /
    • 1994
  • A new Nl-pentenyl derivative of pyrimidines has been synthesized by an intramolecular (2+2) photocycloaddition and characterized by the single-crystal X-ray diffraction technique. The compound crystallizes in the rhombohedral system (R3, a=27.767(5)A c=6.390(2)A). In this structure, two 6-membered rings and a 4-membered ring are fused by the N-N or N-C bonds and the Tyidin Part adouts chair conformation. A pair of molecules related by an inversion center we held together through the hydrogen bonding interactions between N and O atoms of the uracil miety.

  • PDF

The Stabilizing Role of Cyclodextrins on Keggin Phosphotungstic Acid by Complexation Unveiled by Electrospray Mass Spectrometry

  • Fan, YanXuan;Zhang, Yan;Jia, QiaoDi;Cao, Jie;Wu, WenJie
    • Mass Spectrometry Letters
    • /
    • v.6 no.1
    • /
    • pp.13-16
    • /
    • 2015
  • This study demonstrated the stabilizing role of a cyclodextrin on Keggin $[PW_{12}O_{40}]^{3-}$ via hydrogen bonding complexation unveiled by ESI-MS. The distinctive fragmentation pathways of the $\{PW_{12}\}/{\gamma}$-CD complexes from that of discrete $[PW_{12}O_{40}]^{3-}$ showed that the so-called "weak" non-covalent interactions can effectively change the dissociation chemistry of POM in the gas phase. The influence of different types of solvents and organic additives such as ${\gamma}$-CD on the stability of Keggin $[PW_{12}O_{40}]^{3-}$ was also addressed firstly by ESI-MS.

Adsorption of Globular Proteins to Vaccine Adjuvants

  • Jang, Mi-Jin;Cho, Il-Young;Callahan, Patricia
    • BMB Reports
    • /
    • v.30 no.5
    • /
    • pp.346-351
    • /
    • 1997
  • The maximum adsorption/desorption conditions and the adsorption mechanism of globular proteins to vaccine adjuvants were determined. The maximum adsorption ratio of protein to the $Al^{3+}$ content of aluminum oxyhydroxide and the optimal adsorption pH are 2:1 (${\mu}g:{\mu}g$) for bovine serum albumin (BSA) at pH 6.0 and 2.5:1 (${\mu}g:{\mu}g$) for immunoglobulin G (IgG) at pH 7.0, respectively. The maximum adsorption ratio onto aluminum phosphate gel was 1.5:1 (${\mu}g$ Protein:${\mu}g$ $Al^{3+}$) at pH 5.0 for both BSA and IgG. Adsorption of the native globular proteins, BSA and IgG, to aluminum oxyhydroxide and aluminum phosphate gel was reversible as a function of pH. Complete desorption of these proteins from aluminum phosphate gel was observed at alkaline pH, whereas only 80~90% removal from aluminum oxyhydroxide was achieved with alkaline pH and 50 mM phosphate buffer. We conclude that electrostatic and hydrogen bonding interactions between the native proteins and adjuvants are important binding mechanisms for adsorption, and that the surface charge of the protein and the colloid components control the maximum adsorption conditions.

  • PDF

Oligothiophene-based Semi-Conducting Nanostructures: from Solution to Solid-State Aggregates

  • Leclere, Ph.;Surin, M.;Lazzaroni, R.;Feast, W.J.;Schenning, A.P.H.J.;Meijer, E.W.
    • Proceedings of the Polymer Society of Korea Conference
    • /
    • 2006.10a
    • /
    • pp.304-304
    • /
    • 2006
  • The possibility to develop optoelectronic devices with improved properties by controlling the degree of organization at the molecular level of organic materials has been driving the design of new ${\pi}-conjugated$ systems. In particular, the organization by self-assembling processes (${\tilde{\Box}}{\d{\Box}}}$ interactions, hydrogen bonding) of well-defined oligomeric systems such as disubstituted oligothiophene derivatives has been demonstrated as a promising approach to conjugated materials with a high degree of structural order of the constituent building blocks. The self-organization of conjugated building blocks in solution or on surfaces, leading to the construction of nanoscopic and mesoscopic architectures, represents a starting point for the construction of molecular electronics or even circuits, through surface patterning with nanometer-sized objects.

  • PDF