• Title/Summary/Keyword: Molecular data

Search Result 3,203, Processing Time 0.036 seconds

The Studies in Relationship between Molecular Structure and Biological Activities (생리활성과 분자구조의 상관관계에 관한 연구)

  • Kim Ui-Rak;Min Kyung-Sub;Kim Joung-Too;Jeong Bong-Jin
    • Journal of the Korean Chemical Society
    • /
    • v.37 no.1
    • /
    • pp.68-75
    • /
    • 1993
  • Various biological activities (enzyme inhibitory potency, lipoxygenase inhibition, tadpole narcosis, vapor toxicity and heat of vaporization) of molecules are correlated with molecular descriptors. The molecular descriptors used in this works are molecular connectivity index, Wiener distance index and ad hoc descriptor, which can encode information about branching, size, cyclization, unsaturation, hetero atom content and polarizability. It is found that calculated values from multiple regression equations are in a good agreement with experimental data on five biological activities of alcohol, ester and ketone compounds.

  • PDF

Prmt7 is required for the osteogenic differentiation of mesenchymal stem cells via modulation of BMP signaling

  • Tuan Anh Vuong;Yan Zhang;June Kim;Young-Eun Leem;Jong-Sun Kang
    • BMB Reports
    • /
    • v.57 no.7
    • /
    • pp.330-335
    • /
    • 2024
  • Arginine methylation, which is catalyzed by protein arginine methyltransferases (Prmts), is known to play a key role in various biological processes. However, the function of Prmts in osteogenic differentiation of mesenchymal stem cells (MSCs) has not been clearly understood. In the current study, we attempted to elucidate a positive role of Prmt7 in osteogenic differentiation. Prmt7-depleted C3H/10T1/2 cells or bone marrow mesenchymal stem cells (BMSCs) showed the attenuated expression of osteogenic specific genes and Alizarin red staining compared to the wild-type cells. Furthermore, we found that Prmt7 deficiency reduced the activation of bone morphogenetic protein (BMP) signaling cascade, which is essential for the regulation of cell fate commitment and osteogenesis. Taken together, our data indicate that Prmt7 plays important regulatory roles in osteogenic differentiation.

Databases and tools for constructing signal transduction networks in cancer

  • Nam, Seungyoon
    • BMB Reports
    • /
    • v.50 no.1
    • /
    • pp.12-19
    • /
    • 2017
  • Traditionally, biologists have devoted their careers to studying individual biological entities of their own interest, partly due to lack of available data regarding that entity. Large, high-throughput data, too complex for conventional processing methods (i.e., "big data"), has accumulated in cancer biology, which is freely available in public data repositories. Such challenges urge biologists to inspect their biological entities of interest using novel approaches, firstly including repository data retrieval. Essentially, these revolutionary changes demand new interpretations of huge datasets at a systems-level, by so called "systems biology". One of the representative applications of systems biology is to generate a biological network from high-throughput big data, providing a global map of molecular events associated with specific phenotype changes. In this review, we introduce the repositories of cancer big data and cutting-edge systems biology tools for network generation, and improved identification of therapeutic targets.

Molecular analysis of c-terminus structure for elucidating the stabilization effect of site-specific immobilization

  • Baek, Seung-Pil;Yu, Yeong-Jae
    • 한국생물공학회:학술대회논문집
    • /
    • 2001.11a
    • /
    • pp.886-889
    • /
    • 2001
  • C-terminus specific immobilization often results in a increased structural stability resistant to various denaturation factors. In order to elucidate the immobilization effect on the c-terminus in molecular level, we made over 200 protein data set from Protein Data Bank(PDB), analyzed c-terminus structure of each protein, and investigated the structural relationship with the stabilizing factors such as hydrogen bond, ion pairs, cation pi, disulfide bond, solvation free energy, surface area, flexibility and so on.

  • PDF

Determination of the Number of Components in Spectroscopy from the Multilinear Model Fitting

  • Kim, Choong-Rak;Chung, Byung-Chull;Lee, Choon-Hwan
    • Communications for Statistical Applications and Methods
    • /
    • v.6 no.2
    • /
    • pp.367-374
    • /
    • 1999
  • Biological specimens contain several components and multilinear models are very useful in analyzing these data. After fitting the model the number of components are determined by the change of mean squared error however this method is quite rule of thumb. in this paper we suggest a measure to decide the number of components based on the relative change of to mean squared error. Simulations are done and applications to real data set are given as illustrations.

  • PDF

WebChemDB: An Integrated Chemical Database Retrieval System

  • Hou, Bo-Kyeng;Moon, Eun-Joung;Moon, Sung-Chul;Kim, Hae-Jin
    • Genomics & Informatics
    • /
    • v.7 no.4
    • /
    • pp.212-216
    • /
    • 2009
  • WebChemDB is an integrated chemical database retrieval system that provides access to over 8 million publicly available chemical structures, including related information on their biological activities and direct links to other public chemical resources, such as PubChem, ChEBI, and DrugBank. The data are publicly available over the web, using two-dimensional (2D) and three-dimensional (3D) structure retrieval systems with various filters and molecular descriptors. The web services API also provides researchers with functionalities to programmatically manipulate, search, and analyze the data.

Deep Learning Approach Based on Transcriptome Profile for Data Driven Drug Discovery

  • Eun-Ji Kwon;Hyuk-Jin Cha
    • Molecules and Cells
    • /
    • v.46 no.1
    • /
    • pp.65-67
    • /
    • 2023
  • SMILES (simplified molecular-input line-entry system) information of small molecules parsed by one-hot array is passed to a convolutional neural network called black box. Outputs data representing a gene signature is then matched to the genetic signature of a disease to predict the appropriate small molecule. Efficacy of the predicted small molecules is examined by in vivo animal models. GSEA, gene set enrichment analysis.

Study on the Properties of Molecular Sieve Made from Carbonized Material with Modifiers (변형제를 이용한 탄화 시료의 분자체 특성 효과에 관한 연구)

  • Kim, Kweon-Ill;Kim, Tae-Hwan;Park, Jong-Gi;Cho, Sung-Chul;Jin, Myeng-Jong
    • Applied Chemistry for Engineering
    • /
    • v.7 no.2
    • /
    • pp.334-340
    • /
    • 1996
  • Carbon adsorbents, having the properties of molecular sieve, were prepared based on coat materials. A couple of modifiers were used to prepare carbon molecular sieve. The effects of modifier concentrations on the characteristics of carbon molecular sieve were investigated. In order to verify the characteristics of carbon molecular sieve, the adsorption rates of oxygen and nitrogen gases on the carbon molecular sieve were measured using Cahn microbalance(model # : D-200). The experimental data were fitted to an adsorption rate equation and gas diffusivities were calculated. The effects of modifier molecular weight and concentration on the characteristics of carbon molecular sieve were shown.

  • PDF

Molecular Analysis of Rice Plants Harboring an Ac/Ds Transposable Element-Mediated Gene Trapping System

  • Hang Gyeong;Mi Sook Choe;Sung-Ho Lee;Sung Han Park;Hyuk Kim;Ja Choon Koo;No Youl Kim;Su Hyun Park;Jeung Joo Lee
    • Proceedings of the Botanical Society of Korea Conference
    • /
    • 1999.07a
    • /
    • pp.17-20
    • /
    • 1999
  • In rice, limited efforts have been made to identify genes by the use of insertional mutagens, especially heterologous transposons such as the maize Ac/Ds. We constructed Ac and gene trap Ds vectors and introduced them into the rice genome by Agrobacterium-mediated transformation. In this report, rice plants that contained single and simple insertions of T-DNA were analyzed in order to evaluate the gene-tagging efficiency. The 3'end of Ds was examined for putative splicing donor sites. As observed in maize, three splice donor sites were identified at the 3'end of the Ds in rice. Nearly 80% of Ds elements wered excised from the original T-DNA sites, when Ac cDNA was expressed under a CaMV 35S promoter. Repetitive ratoon culturing was performed to induce new transpositions of Ds in new plants derived from cuttings. About 30% of the plants carried at least one Ds that underwent secondary transposition in the later cultures. 8% of transposed Ds elements expressed GUS in various tissues of rice panicles. With cloned DNA adjacent to Ds, the genomic complexities of the insertion sites were examined by Southern hybridization. Half of the Ds insertion sites showed simple hybriodization patterns which could be easily utilized to locate the Ds. Our data demonstrate that the Ac/Ds mediated gene trap system could prove an excellent tool for the analysis of functions of genes in rice. We discuss genetic strategies that could be employed in a largee scale mutagenesis using a heterologous Ac/Ds family in rice.

  • PDF