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Molecular Docking Studies on Anticonvulsant Enaminones Inhibiting Voltage-Gated Sodium Channels

Open Journal of Physical Chemistry 2019年第4期9卷 241-257页

作者： Yayin Fang Jamiya Kirkland Isis J. Amaye Patrice Jackson-Ayotunde matthew george jr. Department of Biochemistry and Molecular Biology College of Medicine Howard University Washington DC USA Department of Pharmaceutical Sciences School of Pharmacy and Health Professions University of Maryland Eastern Shore Princess Anne MD USA

Epilepsy is described as the most common chronic brain disorder. A typical symptom of epilepsy results in uncontrolled convulsions caused by temporary excessive neuronal discharges. Although several new anticon-vulsants have been introduced, some types of seizures have still not been adequately controlled with these new and current therapies. There is an urgent need to develop new anticonvulsant drugs to control the many different types of seizures. Many studies have shown that the epilepsies involve more than one mechanism and therefore may be responsible for the various types of observed seizures. Recently reported studies have shown that a group of newly synthesized 6 Hz active anticonvulsant fluorinated N-benzamide enaminones exhibited selective inhibitions of voltage-gated sodium (Nav) channels. Nav channels are responsible for the initial inward currents during the depolarization phases of the action potential in excitable cells. The activation and opening of Nav channels result in the initial phases of action potentials. We hypothesize that there is an essential pharmacophore model for the interactions between these enaminones and the active sites of Nav channels. The research reported here is focused on molecular docking studies of the interactions that occur between the fluorinated N-benzamide enaminones and the Nav channels. These studies may open an avenue for designing anticonvulsant drugs by inhibiting Nav channels.

关键词： Anticonvulsant Enaminones Voltage-Gated Sodium Channels Structure-Based Drug Design Molecular Docking 3D QSAR

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Molecular Docking Studies on Streptomycin Antileishmanial Activity

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Open Journal of Physical Chemistry 2024年第2期14卷 36-48页

作者： Todd A. Young matthew george jr. Ayele Gugssa William M. Southerland Yayin Fang Clarence M. Lee Department of Biology Howard University Washington DC United States Department of Biochemistry and Molecular Biology Howard University Washington DC United States

Resistance to pentavalent antimonial drugs and the lack of vaccines make it urgent to find novel therapeutic options to treat Leishmaniasis, a tropical disease caused by the Leishmania protozoan parasite. The study reported here is to investigate if Streptomycin, an aminoglycoside, and Amphotericin B, the second-line treatment drug, exhibit antileishmanial activity through a similar mechanism. By using MOE (Molecular Operating Environment), we performed molecular docking studies on these drugs binding to a range of targets including ribosome targets in Leishmania and H. sapiens. Our study shows that the two drugs do not bind to the same pockets in Leishmania targets but to the same pockets in the human ribosome, with some differences in interactions. Moreover, our 2D maps indicated that Amphotericin B binds to the A-site in the human cytoplasmic ribosome, whereas streptomycin does not.

关键词： Leishmaniasis Streptomycin Amphotericin B Molecular Docking Aminoglycosides Antileishmanial

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Genetic assessment of inbred chicken lines indicates genomic signatures of resistance to Marek's disease

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Journal of Animal Science and Biotechnology 2018年第4期9卷 803-812页

作者： Lingyang Xu Yanghua He Yi Ding george E.Liu Huanmin Zhang Hans H.Cheng Robert L.Taylor jr. Jiuzhou Song Department of Animal & Avian Sciences University of Maryland Animal Genomics and Improvement Laboratory U.S. Department of Agriculture-Agricultural Research Services Laboratory of Molecular Biology and Bovine Breeding Institute of Animal Science Chinese Academy of Agricultural Sciences United States Department of Agriculture-Agriculture Research Service (ARS) Avian Disease and Oncology Laboratory Animal and Nutritional Sciences Davis College of Agriculture West Virginia University

Background: Marek’s disease(MD) is a highly contagious pathogenic and oncogenic disease primarily affecting chickens. However, the mechanisms of genetic resistance for MD are complex and not fully understood. MD-resistant line 63and MD-susceptible line 72are two highly inbred progenitor lines of White Leghorn. Recombinant Congenic Strains(RCS) were developed from these two lines, which show varied susceptibility to ***: We investigated genetic structure and genomic signatures across the genome, including the line 63and line72, six RCSs, and two reciprocally crossed flocks between the lines 63and 72(F1 63× 72and F1 72× 63) using Affymetrix~? Axiom~? HD 600 K genotyping array. We observed 18 chickens from RCS lines were specifically clustered into resistance sub-groups distributed around line 63. Additionally, homozygosity analysis was employed to explore potential genetic components related to MD resistance, while runs of homozygosity(ROH) are regions of the genome where the identical haplotypes are inherited from each parent. We found several genes including SIK, SOX1, LIG4, SIK1 and TNFSF13B were contained in ROH region identified in resistant group(line 63and RCS), and these genes have been reported that are contribute to immunology and survival. Based on FSTbased population differential analysis, we also identified important genes related to cell death and anti-apoptosis, including AKT1, API5, CDH13, CFDP and USP15,which could be involved in divergent selection during inbreeding ***: Our findings offer valuable insights for understanding the genetic mechanism of resistance to MD and the identified genes could be considered as candidate biomarkers in further evaluation.

关键词： Genetic structure Genomic signature Homozygosity Marek's disease Recombinant Congenic Strains(RCS)

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Getting it Right in China

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China International Business 2006年第3期 40-41页

作者： HUBERT HSU george STALK jr.

Many multinational corporations have succeeded in China; but just as many have failed. So how should an overseas company best approach the China market？

关键词：中国跨国公司中国市场大城市发展战略

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Comparison of sucrose intake and production of elimination spots among adult Musca domestica, Musca autumnalis, Phormia regina and Protophormia terraenovae

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Asian Pacific Journal of Tropical Biomedicine 2016年第8期6卷 640-645页

作者： Ghada Mohamed El-Bassiony John george Stoffolano jr Department of Entomology Faculty of Science Cairo University Stockbridge School of Agriculture University of Massachusetts

Objective: To compare the differences in intake and excretion between Musca domestica and other three species from families Muscidae and Calliphoridae which may help explaining the significance of house fly in the transmission of ***: The four adult species were supplied with two concentrations of sucrose via modified capillary feeder assay system. The two sucrose concentrations were applied to one adult male/each experiment and the elimination spots were counted. Using 0.25 mol/L sucrose + 0.25% bromophenol blue, one active non-starved male/cup was observed carefully for 1 h to record its behavior. As a growing medium used in bacterial transmission experiments, undiluted trypticase soy broth was used to feed 3-day-old females and males of Musca domestica following two different diets upon emergence and the frequency of elimination spots was ***: The two Musca species have half the weight of the two Phormia *** the volume of intake per hour, house fly took as much as the other species, all of which were larger. House fly produced twice, or more, the number of elimination spots/h than the other three species. Feeding the flies a sugar liquid diet resulted in producing more fecal spots than regurgitation spots. The male house flies produced less elimination spots/h when fed with trypticase soy broth than with the two sucrose ***: House flies eliminated more than the other examined fly species and most of these elimination events were defecation which implicates the fecal route for pathogen transmission by this important vector.

关键词： Regurgitation Defecation Non-hematophagous Diptera Pathogen transmission Food safety

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Paleoecological Response of Corals to the End-Triassic Mass Extinction： An Integrational Analysis

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Journal of Earth Science 2018年第4期29卷 879-885页

作者： george D Stanley jr.Hannah M E Shepherd Autumn J Robinson University of Montana Paleontology Center Missoula MT 59812 USA

The end-Triassic （also Triassic-Jurassic） mass extinction severely affected life on planet Earth 200 million years ago. Paleoclimate change triggered by the volcanic eruptions of the Central Atlantic Magmatic Province （CAMP） caused a great loss of marine biodiversity, among which 96% coral genera were get lost. However, there is precious little detail on the paleoecology and growth forms lost between the latest Triassic extinction and the Early Jurassic recovery. Here a new pilot study was conducted by analyzing corallite integration levels among corals from the latest Triassic and Early Jurassic times. Integration levels in corals from the Late Triassic and Early Jurassic were determined through both the Paleobiology Database as well as from a comprehensive museum collection of fossil corals. Results suggest that in addition to a major loss of diversity following the end-Triassic mass extinction, there also was a significant loss of highly integrated corals as clearly evidenced by the coral data from the Early Jurassic. This confirms our hypothesis of paleoecological selectivity for corals following the end-Triassic mass extinction. This study highlights the importance of assigning sim- ple to advanced paleoecological characters with integration levels, which opens a useful approach to understanding of mass extinction and the dynamics of the recovery.

关键词： coral loss integration level end-Triassic mass extinction paleoecology

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Medical and Behavioral Management of Obesity

Medical and Behavioral Management of Obesity

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中华医学会第十二次全国内分泌学学术会议

作者： Steven B.Heymsfield george A.Bray jr. Nutrition Pennington Biomedical Research Center Baton Rouge A

The increasing recognition of obesity as a disease is compelling physicians and other health care workers to focus on the clinical management of obese patients using the available behavioral and pharmacologic management *** new approaches apply novel telecommunications strategies,mathematical energy balance modeling methods,exercise protocols,and dietary treatments to achieve weight loss and subsequent weight *** molecular mechanisms that underlie the weight loss observed with these

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A phased approach to enable hybrid simulation of complex structures

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Earthquake Engineering and Engineering Vibration 2014年第S1期13卷 63-77页

作者： Billie F.Spencer jr. Chia-Ming Chang Thomas M.Frankie Daniel A.Kuchma Pedro F.Silva Adel E.Abdelnaby Department of Civil Engineering University of Illinois at Urbana-Champaign Nathan M.& Anne M.Newmark Endowed Chair Earthquake Engineering Research &Test Center Guangzhou University Associate Professor Wiss JanneyElstner AssociatesInc. Department of Civil and Environmental Engineering University of Illinois at Urbana-Champaign Department of Civil and Environmental Engineering George Washington University Department of Civil Engineering University of Memphis Assistant Professor

Hybrid simulation has been shown to be a cost-effective approach for assessing the seismic performance of structures. In hybrid simulation,critical parts of a structure are physically tested,while the remaining portions of the system are concurrently simulated computationally,typically using a finite element model. This combination is realized through a numerical time-integration scheme,which allows for investigation of full system-level responses of a structure in a cost-effective manner. However,conducting hybrid simulation of complex structures within large-scale testing facilities presents significant challenges. For example,the chosen modeling scheme may create numerical inaccuracies or even result in unstable simulations; the displacement and force capacity of the experimental system can be exceeded; and a hybrid test may be terminated due to poor communication between modules(e.g.,loading controllers,data acquisition systems,simulation coordinator). These problems can cause the simulation to stop suddenly,and in some cases can even result in damage to the experimental specimens; the end result can be failure of the entire experiment. This study proposes a phased approach to hybrid simulation that can validate all of the hybrid simulation components and ensure the integrity largescale hybrid simulation. In this approach,a series of hybrid simulations employing numerical components and small-scale experimental components are examined to establish this preparedness for the large-scale experiment. This validation program is incorporated into an existing,mature hybrid simulation framework,which is currently utilized in the Multi-Axial Full-Scale Sub-Structuring Testing and Simulation(MUST-SIM) facility of the george E. Brown Network for Earthquake Engineering Simulation(NEES) equipment site at the University of Illinois at Urbana-Champaign. A hybrid simulation of a four-span curved bridge is presented as an example,in which three piers are experimentally controlle

关键词： hybrid simulation seismic performance evaluation phased approach curved bridge MUST-SIM facility

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The ORC Patient/Tumor Classification—A New Approach: A New Challenge with Special Consideration for the Lung

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Journal of Cancer Therapy 2011年第2期2卷 172-175页

作者： Raymond Andrew Dieter jr. george Kuzycz Raymond Andrew Dieter III Robert Sean Dieter Center for Surgery LLC Naperville USA Department Cardiology/Interventional Loyola University Stritch School of Medicine Maywood USA Department of Cardiothoracic Surgery University of Tennessee Knoxville USA Past President International College of Surgeons Chicago USA

Purpose: The development of malignancy is a life changing concern for many individuals. The classification of the tumor alone does not adequately take into consideration the patient’s physical condition. Thus, a system to classify both the patient and the tumor has been followed-the ORC system. Method: Additional information regarding the patient and their health has been followed by most physicians but not systematically categorized. By using the individuals health information in addition to the TNM classification one can more adequately advise the patient. Thus O-operability, R-resectability, and C-curability are all considered and more appropriately define the patient and his/her tumor condition. Results: The patient’s physical condition must be acceptable for the treatment-whether surgical or nonsurgical. Pulmonary, cardiac, muscular, renal or other disease entities must not be so severe as to prevent treatment (operability). The lesion should be in a location and of a size to afford possible excision-resectability, and the tumor should be potentially curable in order to justify major intervention. Thus, by combining the patient’s specific health status as well as the tumor characteristics (TNM) a better clarification of the treatment, the options, and the prognosis are delineated. Conclusion: When a patient is seen with a tumor-malignant or benign, therapeutic considerations must include the individual’s health status as well as the tumor prior to determining the treatment. Therefore, a system to consider both the health and the tumor is proposed-the ORC system.

关键词： Patient Classification Tumor Classification Operability Resectability Curability TNM

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拿成本为零的竞争者怎么办?

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商学院 2009年第4期 65-66页

作者： george Stalk jr. 波士顿咨询公司

与新进者相比,老牌企业显然处于不利的竞争地位。对于老牌企业而言,更有用的洞察是:那些资本成本似乎为零的企业和投资者所要求的投资回报期可能较长。简言之,这些竞争者承担着另外一种风险。

关键词：资本成本竞争者老牌企业投资回报期竞争地位投资者

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