Proto-type installation of a double-station system for the optical-video-detection and orbital characterisation of a meteor/fireball in South Korea

We give a detailed description of the installation and operation of a double-station meteor detection system which formed part of a research & education project between Korea Astronomy Space Science Institute and Daejeon Science Highschool. A total of six light-sensitive CCD cameras were installed with three cameras at SOAO and three cameras at BOAO observatory. A double-station observation of a meteor event enables the determination of the three-dimensional orbit in space. This project was initiated in response to the Jinju fireball event in March 2014. The cameras were installed in October/November 2014. The two stations are identical in hardware as well as software. Each station employes sensitive Watec-902H2 cameras in combination with relatively fast f/1.2 lenses. Various fields of views were used for measuring differences in detection rates of meteor events. We employed the SonotaCo UFO software suite for meteor detection and their subsequent analysis. The system setup as well as installation/operation experience is described and first results are presented. We also give a brief overview of historic as well as recent meteor (fall) detections in South Korea. For more information please consult http://meteor.kasi.re.kr .Comment: Technical/instrumentation description of a professional meteor detection system, 23 pages, 20 figures (color/monochrome), 5 tables, submitted to the Journal of Korean Astronomical Society (JKAS, http://jkas.kas.org/, http://jkas.kas.org/history.html

Dynamic and multi-pharmacophore modeling for designing polo-box domain inhibitors.

The polo-like kinase 1 (Plk1) is a critical regulator of cell division that is overexpressed in many types of tumors. Thus, a strategy in the treatment of cancer has been to target the kinase activity (ATPase domain) or substrate-binding domain (Polo-box Domain, PBD) of Plk1. However, only few synthetic small molecules have been identified that target the Plk1-PBD. Here, we have applied an integrative approach that combines pharmacophore modeling, molecular docking, virtual screening, and in vitro testing to discover novel Plk1-PBD inhibitors. Nine Plk1-PBD crystal structures were used to generate structure-based hypotheses. A common pharmacophore model (Hypo1) composed of five chemical features was selected from the 9 structure-based hypotheses and used for virtual screening of a drug-like database consisting of 159,757 compounds to identify novel Plk1-PBD inhibitors. The virtual screening technique revealed 9,327 compounds with a maximum fit value of 3 or greater, which were selected and subjected to molecular docking analyses. This approach yielded 93 compounds that made good interactions with critical residues within the Plk1-PBD active site. The testing of these 93 compounds in vitro for their ability to inhibit the Plk1-PBD, showed that many of these compounds had Plk1-PBD inhibitory activity and that compound Chemistry_28272 was the most potent Plk1-PBD inhibitor. Thus Chemistry_28272 and the other top compounds are novel Plk1-PBD inhibitors and could be used for the development of cancer therapeutics

3D QSAR Pharmacophore Modeling, in Silico Screening, and Density Functional Theory (DFT) Approaches for Identification of Human Chymase Inhibitors

Human chymase is a very important target for the treatment of cardiovascular diseases. Using a series of theoretical methods like pharmacophore modeling, database screening, molecular docking and Density Functional Theory (DFT) calculations, an investigation for identification of novel chymase inhibitors, and to specify the key factors crucial for the binding and interaction between chymase and inhibitors is performed. A highly correlating (r = 0.942) pharmacophore model (Hypo1) with two hydrogen bond acceptors, and three hydrophobic aromatic features is generated. After successfully validating “Hypo1”, it is further applied in database screening. Hit compounds are subjected to various drug-like filtrations and molecular docking studies. Finally, three structurally diverse compounds with high GOLD fitness scores and interactions with key active site amino acids are identified as potent chymase hits. Moreover, DFT study is performed which confirms very clear trends between electronic properties and inhibitory activity (IC50) data thus successfully validating “Hypo1” by DFT method. Therefore, this research exertion can be helpful in the development of new potent hits for chymase. In addition, the combinational use of docking, orbital energies and molecular electrostatic potential analysis is also demonstrated as a good endeavor to gain an insight into the interaction between chymase and inhibitors