Day 3 :
- Petro Chemicals
Nanotechnology and Applications
Hanyang University, Republic of Korea
Jung-Mi Hah has completed her PhD at the age of 32 years from Northwestern University and postdoctoral studies from Albert Einstein College of Medicine. She is the director of graduate school of Pharmacy at Hanyang University. She has published more than 40 papers in reputed bioorganic and medicinal chemistry journals.
The development of protein kinase inhibitors is becoming increasingly important in the development of drugs for peripheral diseases, while protein kinase targets in CNS diseases are rarely developed due to the difficulties of common CNS drug discovery. However, a number of protein kinases are being studied as targets for brain diseases. When developing them, the nature of low-molecular inhibitors - the molecular design that considers cytochrome P450-mediated metabolism, must be accompanied by blood.brain barrier permeability. Degenerative brain diseases and ischemic brain diseases, which are typical brain diseases, are directly caused by brain cell death, but they are recognized as a result of intracellular signal transduction. Therefore, protein kinase Has begun to be studied. The c-Jun N-terminal kinase (JNK) pathway in the MAPK pathway, which is a representative cell signaling system that regulates cell death, has been verified as a target in relation to many diseases. In particular, JNK3 isoform is expressed in brain tissue The distribution is concentrated, and the connection with neuronal death has been studied extensively.
In this study, we have developed a low-molecular-weight inhibitor that can regulate its function by molecular targeting of JNK3 (c-Jun N-terminal kinase), which is considered to play a key role in the brain cell death mechanism of degenerative brain disease , And to conduct a study on structural optimization focusing on improvement of BBB permeation structure of existing lead material.
Ewha Womans University, Republic of Korea
Jae-Sang Ryu has completed his PhD from Northwestern University, IL, USA and postdoctoral studies from Memorial Sloan-Kettering Cancer Center, NY, USA. He is a profssor of college of Pharmacy & Graduate School of Pharmaceutical Sciences, Ewha Womans University, Seoul, Korea. He has been searching for new drug candidates based on disease mechanisms and combinatorial approaches. His lab is currently working on the development of allergic/anticancer drugs using peptide libraries and natural compound-like compound libraries. He has published many papers in SCI international journals and applied for patents related to the development of antiallergic drugs and anti-cancer drugs.
The Aurora family is a member of the Ser/Thr protein kinases regulating mitosis. They includes Aurora A, B and C possessing individual function and different cellular localization during cell cycle. An overexpression of Aurora A and B, which has been observed in various tumor types, is known to connect to chromosomal instability, oncogenic transformation, and tumor progression. Although Aurora kinase is considered as a promising therapeutic target in cancer and several Aurora inhibitors have currently reached the clinical evaluation stage, Aurora-selective drug is not yet approved by FDA.
Previously, we identified a potent antiproliferative substance by constructing a small molecule library that mimics lavendustin, a natural kinase inhibitor, using a rapid 'click-fragment assembly' and screening method. Based on this lead compound, various 1,2,3-triazolylsalicylamide analogs were designed, synthesized via Cu(I)-catalyzed azide–alkyne 1,3-dipolar cycloaddition (CuAAC) and evaluated biochemically for the Aurora kinase inhibitory activities. Among twenty-four membered 1,2,3-triazole library, compound 8a exhibited much lower IC50 values against Aurora A kinase than the lead compound, and compound 8m showed a nanomolar IC50 value against Aurora B. In this presentation, we describe the design, synthesis, and biochemical evaluation of 1,2,3-Triazole-linked Salicylamide Analogs.
Abdeldayem R A is from toxicology unit, Emergency Hospital, Mansoura University, Egypt
Background: Several diseases have been caused by contamination of surface and groundwater. Aim: The aim of the present work is to investigate the impact of iron overload in drinking water on liver pathology.Materials and Methods: Samples of drinking water, blood and true cut liver biopsies were taken from selected inhabitants, who attended in some Dakahlia governorate hospitals. Those inhabitants (16 patients) from Mit-ghamr and Aga districts were suffering from liver disorders (had hepatitis C) and 4 patients had chronic cholecystitis from Mansoura district as control cases. Measurement of iron level in water samples was carried out by the use of an atomic absorption spectrophotometer, analyzed for serum iron level with a micro lab 200 spectrophotometer. Results: The mean value of iron in surface water is lower than the permissible limit of Egyptian ministry of health (EMH) and World health organization (WHO). However, the mean value of iron in groundwater samples is higher than that permissible limit and than those of surface drinking water. Comparison between iron level in drinking water and human blood samples shows positive relationship. The control group depended on drinking surface water and had normal liver function tests, whereas the patient group that depended on drinking groundwater had abnormal values in liver function tests. These data suggest that the polluted iron drinking water is the reason for the liver disorder of the patients. Siderosis was apparent among those patients drinking polluted iron water in comparison to control cases. The siderosis appears to be responsible for resistance to treatment of HCV and progression of fibrosis. Conclusion: The accumulation of iron in liver leads to fibrosis. Iron depletion therapy could interfere with fibrosis development and possibly reduce the risk of hepatocellular carcinoma (HCC).
Vikrant received his M.Sc. from the University of Pune (India) in 2003. Shortly after graduation, he joined Dr. Reddy’s Laboratories Ltd., Hyderabad as a research chemist. In 2005, Vikrant embarked on his doctoral studies at the Memorial University of Newfoundland (Canada) under the supervision of Prof. S. V. Pansare. After receiving his Ph.D. in 2009, he pursued his postdoctoral research in the group of Prof. K.C. Nicolaou at The Scripps Research Institute in California (USA). In 2010, Vikrant commenced his research career at the Institute of Chemical and Engineering Sciences, ASTAR (Singapore). At ICES, he has successfully lead several projects in areas such as total synthesis of natural products, medicinal chemistry, and synthetic methodology. His current research interests encompass the synthesis and biological evaluation of novel sp3-rich chemical entities, such as bicyclo[1.1.1]pentane derivatives. Vikrant has recently completed his MBA studies from Nanyang Business School at Nanyang Technological University (Singapore).
Potential applications of the bicyclo[1.1.1]pentane (BCP) motif, as a contemporary lead optimization tool, has generated substantial interest in medicinal chemistry. However, a realistic introduction of this building-block to the mainstream medicinal chemistry warrants a systematic and steadfast approach towards its development.
In 2013, originating from an “out-of-the-box” notion to resolve issues pertaining to an on-going medicinal chemistry study, we recognized the need to resolve the paucity of synthetic access to BCP derivatives.2 Taking cognizance of the non-trivial chemical demeanor of the strained BCP motif, we devised contemporary strategies to secure key BCP derivatives in a scalable fashion. As an outcome, we have now secured a robust and scalable access to a variety of key intermediates such as the BCP amine (1) its 3-fluoro and 3-phenyl substituted counterparts 2 and 3, and 3-pyrazine BCP carboxylic acid (4).3-6 The newly discovered synthetic know-how was deployed to generate a library of BCP-based fragments for an ‘in-house’ FBDD initiative. Moreover, empowered by our synthetic studies we have also invested efforts to understand the biological behavior of BCP derivatives. In this presentation, I will narrate the background, the progress, and our future objectives related to our work on the BCP derivatives.
University of Tsukuba, Japan
Yutaka Moritomo has completed his PhD in physics at the age of 27 years from University of Tokyo and postdoctoral studies from University of Tokyo. Now, he is the director of divivion of materials for energy storage and conversion, Center for Integrated Research in Fudamental Science and Engineering (CiRfSE), University of Tsukuba. He has published more than 300 papers (total citation is more than 20,000).
Prussian blue analogues (PBAs:NaxM[Fe(CN)6]y where M is a transition metal) have three-dimensional (3D) jungle-gym-type host framework and cubic nanopores, 0.5 nm at the edge. PBAs are promising cathode materials for lithium ion (LIBs) and sodium ion (SIBs) secondary batteries,[1-3] reflecting their nanoporous host framework. Actuially, thin film of NaxCo[Fe(CN)6]0.90 shows high capacity of 135 mAh/g, which is comparable to the value (= 140mAh/g) of actually-used LiCoO2. The thin film electrode exhibits a high capacity of 121 mAh/g (90 % of the OCV value) even at 60 C. The discharge curve exhibits two plateaus at 3.8 and 3.4 V. By means of ex situ X-ray diffraction and absorption measurements, we have ascrived them the the redox processes of Fe and Co.
The thin film battery electrode is a nice platform for energy science, becauase the electrode is free free from carbon-based conducting material and polymer-based binder. With use of an optical battery cell and microscopy, we clarified the structural dynamics in the charge process (Li intercalation process) of LixCo[Fe(CN)6]0.90. We cleary observed phase separation into the Li-rich and Li-poor domains of iorder of 10,000 nm. With use of the inelastic X-ray scattering technique, we clartified that local structures around Co2+ and Co3+ in NaxCo[Fe(CN)6]0.90.
University of Tlemcen, Algeria
Ali Mansri has completed his PhD at the age of 27 years from Le Maine University in France and Doctorat d’état-ès sciences studies from Tlemcen University in Algeria. He is the director of the laboratory of Application of Organic Electrolytes and Polyelectrolytes (LAEPO), University of Tlemcen. He has published more than 75 papers in reputed journals and has been serving as reviewer of several repute journals. He is consultant in a quality control laboratory where he Elaborate several new materials for the ceramic and water treatment industries.
The last few years have seen a growing interest around the formulation of Bentonite/copolymer micro-composites. ¶TTheir technological and fundamental interest and applications lead to several synthesis procedures. In the present presentation, new organophilic micro-composite materials derived Poly(acrylamide-VP) copolymers/Bentonite [PPAM/BEN] were formulated, with Bentonite as a mineral material and Poly(acrylamide-VP) [PPAM] copolymer derivatives. Thus, hydrophobically modified water soluble Poly(acrylamide-VP) [PPAM] copolymers were prepared by classical or adiabatic radical polymerizations of acrylamide and Bentonite in heterogeneous medium in the presence and absence quaternary ammonium surfactants. The properties of the obtained micro-composites in aqueous solution depend on the experimental conditions, especially on the monomer ratios and on the Bentonite rate. They give a suspension when mixed energetically in water. Both the copolymers and the micro-composites materials were characterized using various techniques like 1HNMR, 13CNMR and ultraviolet spectroscopies, GPC and viscosity. The results of the thermal characterization by TGA showed good stability of the materials at high temperatures.
These organophilic micro-composite materials were used for the pollutants retentions from aqueous solutions. Experiments show very good results which become more important with the materials based on the low ratios of Bentonite [PPAM-VP/BEN]. These micro-composites [PPAM/BEN] were tested, for the first time, in the Flocculation process water treatment. The tests are conducted on a semi-industrial experimental pilot. Good Flocculation yields were observed.
Venezuelan Institute of Scientific Research, Venezuela
Carbonaceous materials, based on polyaromatic hydrocarbons (PAH), have multiple applications particularly on: atmospheric chemistry, heavy oil components, interstellar chemistry, liquid crystals, carbonization chemistry, catalysis, electronic components, etc. In this presentation, several interactions between radicals with a PAH (coronene molecule) have being studied: (a) model aging of black carbon (BC) produced in air pollution ; (b) formation of molecular species on carbonaceous material of the interstellar medium (ISM) ; (c) the metal and metal oxides species formed on pyrolytic graphite platform (PGP), used in electrothermal atomic absorption spectroscopy (ETAAS) ; (d) metal supported on graphene for the catalysis of olefin hydrogenation . For modeling the above mentioned systems, quantum chemistry calculations at DFT level, parametric, tight binding, and Monte Carlo techniques were employed.
(a) Potential energy surfaces for •OH reaction with coronene as model of BC were evaluated to explain the aging of BC. It means, BC destruction in atmosphere is simulated by the breaking of C-H and C-C bonds after multiple interactions with •OH with the formation of CO2 plus H2O. This aging process goes through on the edge surface oxidation with the formation of OH, C=O, and COOH groups. The increase of the surface hydrophilicity was analyzed by using PM6 and DFT-D, explaining water condensation .
(b) Several studies of molecular formation in the ISM were carried out for the formation of H2, H2O, CH4, NH3 molecules after multiple hydrogenations by (Eley-Rideal (ER) mechanism). Events associated with these processes have been studied with the calculation of chemisorption, diffusion, desorption, and surface reaction barriers . The temperature desorption spectrum (TDS) of H2 on graphite is simulated with a Monte Carlo approach using calculated barriers of each event with DFT. A very good theoretical and experimental matching is obtained. The effect of multiple layers of graphene and ionization (charge effects) were also analyzed.
(c) Comparison between X-ray photoelectron spectra (XPS) and theoretical stability of possible Mo species on a model of pyrolytic graphite at different stages of the ETAAS process was performed . The interpretation of XPS in different regions of the PGP indicates the migration of MoxOy species far from the center region. It was found that very stable oxides on the edges of the graphite are formed, then reductions of these species are feasible because are thermodynamically favored. Carbide formation on the dehydrogenated sites is responsible for observed species at ETAAS.
(d) Highly dispersed nanocatalyst synthetized by metal deposition on small graphenes was theoretically modeled . Metallic nickel chemisorptions on multiple sites yield a very active catalyst for hydrogen activation. The interaction with ethylene is analyzed on different sites. Results show that the activation barrier for ethylene hydrogenation is very low. A novel catalyst is proposed for hydrogenation of hydrocarbons.
One may conclude that carbonaceous surfaces have multivariate technological applications, particularly, for recombination of radical species on their surfaces.
After receiving his PhD from the Johns Hopkins University (USA) in 1992 at the age of 27, JC moved back to France to work at Rhône-Poulenc Rorer in Paris as a medicinal chemist, in the field of Anti-Infectious diseases. From 1999 to 2004, at Aventis he worked in the global Medicinal Chemistry Department, being involved in several international collaborations in connection with various therapeutic areas. Since 2004, he has worked at Sanofi, first in the Oncology Business Division (2004-2014), then in a global scientific platform called Integrated Drug Discovery (2014 to present) as a group and project leader. he has published over 70 papers and patents.
The Aurora family of serine/threonine kinases is essential for mitosis. Their crucial role in cell cycle regulation and aberrant expression in a broad range of malignancies have been demonstrated and have prompted intensive search for small molecule Aurora inhibitors. Indeed, over ten of them have reached the clinic as potential anticancer therapies. We will report the discovery and optimization of a novel series of tricyclic molecules that has led to SAR156497, an exquisitely selective Aurora A, -B and -C inhibitor with in vitro and in vivo efficacy. We will also provide insights into its mode of binding to its target proteins from X-Ray data, which could explain its selectivity.
Marien-Ngouabi University, Brazzaville
The diabetes constitutes a true problem of public health in the world. It results in a sugar rate abnormally raised, measured in blood in several months of intervals. It is about a chronic metabolic disease which occurs when the pancreas does not secrete insulin: insulino-dependent diabetes (type I) which generally touches the young subject before 30 years or when the pancreas does not produce sufficient insulin and that the secretion of this one is overdrawn; form diabetes found at the adults and the obese ones: noninsulino-dependent diabetes (type II). Indeed, vis-a-vis the noted dissatisfaction of the modern remedies, the traditional phytotherapeutic tracks seem to reinforce an interesting potential, of which the process of development, plant with phytomédicament, through adequate scientific processes, could offer a credible alternative, in favour of the communities.
University of Strasbourg, France
Fatih is a 2nd year PhD student in the “Laboratoire de Synthèse et Réactivité Organiques et Catalyse” at the University of Strasbourg supervised by Pr Patrick Pale and Aurélien Blanc. He is working on new Palladium and Gold catalyzed pathways towards natural products synthesis. After his chemistry bachelor in Strasbourg, he did a master degree on drug design and production at the Faculty of Pharmacy of Strasbourg. During his master’s internship at Harvard Neurodiscovery Center-Harvard Medical School, he worked on the lead optimization for the treatment of Alzheimer.
Natural products have mostly a heterocyclic scaffold and retain particular attention from
organic chemists due to their biological activity and also their utility to provide an attractive
platform to establish the usefulness of novel synthetic pathways. Palladium catalyzed reactions are wide used to this aim given that this metal offer and abundance of possibilities of carbon-carbon and carbon-heteroatom bond formations. Furthermore, the non-toxicity and the tolerance of palladium to many functional groups, widely present on natural products, are important attractive features.
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