• Title/Summary/Keyword: biological molecules

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Synthesis and Fragmentation Behavior Study of n-alkyl/benzyl Isatin Derivatives Present in Small/Complex Molecules: Precursor for the Preparation of Biological Active Heterocycles

  • Kadi, Adnan A.;Al-Shakliah, Nasser S.;Motiur Rahman, A. F. M.
    • Mass Spectrometry Letters
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    • v.6 no.3
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    • pp.65-70
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    • 2015
  • N-Alkyl/benzyl substituted isatin derivatives are intermediates and synthetic precursors for the preparation of biological active heterocycles. N-alkyl/benzyl isatins have showed various biological activities, such as cytotoxicity, antiviral, caspase inhibition, cannabinoid receptor 2 agonists for the treatment of neuropathic pain, etc. In this study, N-alkyl/benzyl isatin derivatives were synthesized from isatin and alkyl/benzyl halides in presence of K2CO3 in DMF and excellent to quantitative yields (~95%) were obtained. Isatins and benzyl-isatins were condensed with fluorescein hydrazide to form fluorescein hydrazone. All the compounds were subjected to their fragmentation behavior study using LC/MSn. N-Alkyl substituted isatin derivatives fragmented at nitrogen-carbon (N-C) bond, hence gave daughter ion as [RN+H]+. Whereas, N-benzyl substituted isatin derivatives fragmented at carbon-carbon (C-C) bond of alkyl chain which linked with nitrogen molecules, therefore gave N-methyl fragments [RNCH2]+. This study demonstrated that, isatin moiety present in a small/large molecule or in a matrix of reaction mixture with/without N-alkyl/benzyl substituents can be identified by mass spectroscopic fragmentation behavior study.

A review on gold nanowire based SERS sensors for chemicals and biological molecules

  • Rashida Akter;Hyuck Jin Lee;Toeun Kim;Jin Woo Choi;Hongki Kim
    • Analytical Science and Technology
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    • v.37 no.4
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    • pp.201-210
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    • 2024
  • Surface-enhanced Raman scattering (SERS) has emerged as a powerful technique for detecting and analyzing chemical and biological molecules at ultra-low concentrations. The effectiveness of SERS largely depends on structures with sub-10 nm gaps, prompting the proposal of various nanostructures as efficient SERS-active platforms. Among these, single-crystalline gold nanowires (AuNWs) are particularly promising due to their large dielectric constants, well-defined geometries, atomically smooth surfaces, and surface plasmon resonance across the visible spectrum, which produce strong SERS enhancements. This review comprehensively explores the synthesis, functionalization, and application of Au NWs in SERS. We discuss various methods for synthesizing AuNWs, including the vapor transport method, which influences their morphological and optical properties. We also review practical applications in chemical and biosensing, showcasing the adaptability of Au NWs-based SERS platforms in detecting a range of analytes, from environmental pollutants to biological markers. The review concludes with a discussion on future perspectives that aim to enhance sensor performance and broaden application domains, highlighting the potential of these sensors to revolutionize diagnostics and environmental monitoring. This review underscores the transformative impact of AuNW-based SERS sensors in analytical chemistry, environmental science, and biomedical diagnostics, paving the way for next-generation sensing technologies.

Bioseparations in Lab-On-A-Chip (랩온어칩에서의 생물분리기술)

  • Chang Woo-Jin;Koo Yoon-Mo
    • KSBB Journal
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    • v.20 no.3
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    • pp.197-204
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    • 2005
  • Lab-on-a-chip is a miniaturized analytical device in which all of the procedures for the analysis of molecules are carried out, such as pretreatment, reaction, separation, detection, etc. Lab-on-a-chip has increasing concern as a device not only for rapid detection of molecules but also for high throughput screening and point of care, because conventional laborious and time consuming analytical procedures can be substituted. Thus, a lot of microfabrication and analytical techniques for lab-on-a-chip have been developed with microstructures smaller than a few hundreds of micrometers. Separation of the molecules is one of the most important components of lab-on-a-chip, because effective separation method can simplify the design and can provide better sensitivity. The electrokinetic separation based on capillary electrophoresis is most widely employed technique in lab-on-a-chip for the control of fluids and the separation of molecules. In this article, bioseparation techniques and its applications realized in lab-on-a-chip are reviewed.

Leaf-specific pathogenesis-related 10 homolog, PgPR-10.3, shows in silico binding affinity with several biologically important molecules

  • Han, Jin Haeng;Lee, Jin Hee;Lee, Ok Ran
    • Journal of Ginseng Research
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    • v.39 no.4
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    • pp.406-413
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    • 2015
  • Background: Pathogenesis-related 10 (PR-10) proteins are small, cytosolic proteins with a similar three-dimensional structure. Crystal structures for several PR-10 homologs have similar overall folding patterns, with an unusually large internal cavity that is a binding site for biologically important molecules. Although structural information on PR-10 proteins is substantial, understanding of their biological function remains limited. Here, we showed that one of the PgPR-10 homologs, PgPR-10.3, shares binding properties with flavonoids, kinetin, emodin, deoxycholic acid, and ginsenoside Re (1 of the steroid glycosides). Methods: Gene expression patterns of PgPR-10.3 were analyzed by quantitative real-time PCR. The three-dimensional structure of PgPR-10 proteins was visualized by homology modeling, and docking to retrieve biologically active molecules was performed using AutoDock4 program. Results: Transcript levels of PgPR-10.3 expressed in leaves, stems, and roots of 3-wk-old ginseng plantlets were on average 86-fold lower than those of PgPR-10.2. In mature 2-yr-old ginseng plants, the mRNA of PgPR-10.3 is restricted to leaves. Ginsenoside Re production is especially prominent in leaves of Panax ginseng Meyer, and the binding property of PgPR-10.3 with ginsenoside Re suggests that this protein has an important role in the control of secondary metabolism. Conclusion: Although ginseng PR-10.3 gene is expressed in all organs of 3-wk-old plantlets, its expression is restricted to leaves in mature 2-yr-old ginseng plants. The putative binding property of PgPR-10.3 with Re is intriguing. Further verification of binding affinity with other biologically important molecules in the large hydrophobic cavity of PgPR-10.3 may provide an insight into the biological features of PR-10 proteins.

Streptomyces Cytochrome P450 Enzymes and Their Roles in the Biosynthesis of Macrolide Therapeutic Agents

  • Cho, Myung-A;Han, Songhee;Lim, Young-Ran;Kim, Vitchan;Kim, Harim;Kim, Donghak
    • Biomolecules & Therapeutics
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    • v.27 no.2
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    • pp.127-133
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    • 2019
  • The study of the genus Streptomyces is of particular interest because it produces a wide array of clinically important bioactive molecules. The genomic sequencing of many Streptomyces species has revealed unusually large numbers of cytochrome P450 genes, which are involved in the biosynthesis of secondary metabolites. Many macrolide biosynthetic pathways are catalyzed by a series of enzymes in gene clusters including polyketide and non-ribosomal peptide synthesis. In general, Streptomyces P450 enzymes accelerate the final, post-polyketide synthesis steps to enhance the structural architecture of macrolide chemistry. In this review, we discuss the major Streptomyces P450 enzymes research focused on the biosynthetic processing of macrolide therapeutic agents, with an emphasis on their biochemical mechanisms and structural insights.

Local Photoswitching Effects of Cytochrome c/Viologen/GFP Hetero-Thin Film

  • Yu, Chang-Jun;Choe, Jeong-U;Park, Se-Jeong;Nam, Yun-Seok;O, Byeong-Geun;Lee, Won-Hong
    • 한국생물공학회:학술대회논문집
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    • 2001.11a
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    • pp.823-826
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    • 2001
  • In the initial process of photosynthesis, a biological electron transfer system, photoelectric conversion occurs and then long-range electron transfer takes place very efficiently in one direction through the biomolecules. The metal/insulator/metal structured device consisting of GFP, viologen, cytochrome c hetero-thin film was presented based on the biomimesis. GFP, viologen, and cytochrome c was used as an electron sensitizer, a mediator, and an electron acceptor. Cytochrome c molecules and viologen molecules were deposited by Langmuir-Blodgett (LB) technique, and GFP molecules were adsorbed by self-assembly method (SAM). Surface morphology of hetero-thin film was analyzed by scanning tunneling microscopy (STM). Local photoswitching effects of a proposed photodiode were verified by current-voltage measurements using hybrid STM/I-V measurement system.

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Recent Advances in the Innate Immunity of Invertebrate Animals

  • Iwanaga, Sadaaki;Lee, Bok-Luel
    • BMB Reports
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    • v.38 no.2
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    • pp.128-150
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    • 2005
  • Invertebrate animals, which lack adaptive immune systems, have developed other systems of biological host defense, so called innate immunity, that respond to common antigens on the cell surfaces of potential pathogens. During the past two decades, the molecular structures and functions of various defense components that participated in innate immune systems have been established in Arthropoda, such as, insects, the horseshoe crab, freshwater crayfish, and the protochordata ascidian. These defense molecules include phenoloxidases, clotting factors, complement factors, lectins, protease inhibitors, antimicrobial peptides, Toll receptors, and other humoral factors found mainly in hemolymph plasma and hemocytes. These components, which together compose the innate immune system, defend invertebrate from invading bacterial, fungal, and viral pathogens. This review describes the present status of our knowledge concerning such defensive molecules in invertebrates.

3D-QSAR Analysis and Molecular Docking of Thiosemicarbazone Analogues as a Potent Tyrosinase Inhibitor

  • Park, Joon-Ho;Sung, Nack-Do
    • Bulletin of the Korean Chemical Society
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    • v.32 no.4
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    • pp.1241-1248
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    • 2011
  • Three dimensional quantitative structure-activity relationships (3D-QSARs) between new thiosemicarbazone analogues (1-31) as a substrate molecule and their inhibitory activity against tyrosinase as a receptor were performed and discussed quantitatively using CoMFA (comparative molecular field analysis) and CoMSIA (comparative molecular similarity indices analysis) methods. According to the optimized CoMSIA 2 model obtained from the above procedure, inhibitory activities were mainly dependent upon H-bond acceptor favored field (36.5%) of substrate molecules. The optimized CoMSIA 2 model, with the sensitivity of the perturbation and the prediction, produced by a progressive scrambling analysis was not dependent on chance correlation. From molecular docking studies, it is supposed that the inhibitory activation of the substrate molecules against tyrosinase (PDB code: 1WX2) would not take place via uncompetitive inhibition forming a chelate between copper atoms in the active site of tyrosinase and thiosemicarbazone moieties of the substrate molecules, but via competitive inhibition based on H-bonding.

Pseudoreceptor: Concept and an Overview

  • Kothandan, Gugan;Madhavan, Thirumurthy;Gadhe, Changdev G.;Cho, Seung Joo
    • Journal of Integrative Natural Science
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    • v.3 no.3
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    • pp.162-167
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    • 2010
  • A pseudoreceptor combines structure-based and ligand-based techniques to represent a unifying concept for both receptor mapping and ligand matching. In this molecular modeling approach, there are opportunities to construct the pseudoreceptor models using a set of small molecules. To build a reliable pseudoreceptor model, we need a set of ligand molecules with known affinity (biological activity) to generate 3D bioactive conformation for each of these ligand molecules. Several software packages are available to generate a pseudoreceptor model and this can provide an entry point for structure based drug discovery in cases where receptor structure information is not available. In this review, we presented the concept of pseudoreceptor, as well as discussed about various software packages available to generate a pseudoreceptor model.

Binding Structures of Diatomic Molecules to Co-Porphyrins on Au(111) Studied by Scanning Tunneling Microscopy

  • Lee, Soon-Hyeong;Kim, Ho-Won;Jeon, Jeong-Heum;Jang, Won-Jun;Kahng, Se-Jong
    • Proceedings of the Korean Vacuum Society Conference
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    • 2012.02a
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    • pp.130-130
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    • 2012
  • Axial bindings of diatomic molecules to metalloporphyrins involve in the dynamic processes of biological functions such as respiration, neurotransmission, and photosynthesis. The binding reactions are also useful in sensor applications and in control of molecular spins in metalloporphyrins for spintronic applications. Here, we present the binding structures of diatomic molecules to surface- supported Co-porphyrins studied using scanning tunneling microscopy. Upon gasexposure, three-lobed structures of Co-porphyrins transformed to bright ring shapes on Au(111), whereas H2-porphyrins of dark rings remained intact. The bright rings are explained by the structures of reaction complexes where a diatomic ligand, tilted away from the axis normal to the porphyrin plane, is under precession. Our results are consistent with previous bulk experiments using X-ray diffraction and nuclear magnetic resonance spectroscopy.

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