Day 1 :
Keynote Forum
Karen Tarasenko
Chem Space, USA
Keynote: Advantages of fluorinated fragment library in the discovery of novel specific binders and hit to lead optimization
Time : 09.30-10.10
Biography:
Karen Tarasenko has completed his PhD from V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry. He is the Chemist of UORSY and Chemical Adviser in Chem Space.
Abstract:
Fragment-based drug discovery (FBDD) became an important strategy complementary to conventional high-throughput screening (HTS) campaigns in both academia and industry. The basic idea behind FBDD approaches is to initially identify, usually by screening small focused libraries of low molecular weight compounds (fragments) via biophysical methods, key chemical substructures or pharmacophores sufficient to confer a minimal yet specific interaction with the given target identified by structural studies using X-ray crystallography or nuclear magnetic resonance (NMR) spectroscopy. As a follow up, identified fragment hits could be converted into more potent binders by a variety of approaches using structural information of identified hits.
Chemspace reports variety of fluorine-containing molecules which satisfy criteria of fragments (122
- Aromatic compounds with small substituents in the pattern
-
Compounds with enriched Fsp3
- increased chirality
- dimensionality
- improved physico-chemical properties
- improved diversity in follow up
Approaches to expand chemical space from the Chemspace commercially available or de-novo synthesis of new fragments and compounds from a 120M database is discussed.
Fluorine atom serves as a marker for the identification of initial binders by NMR and may or may not be present in the final molecules as a structural feature.
Keynote Forum
Omid Akbarzadeh
University of Malaya | Malaysia
Keynote: Effect of manganese on Co-Mn/CNT bimetallic catalyst performance in Fischer-Tropsch reaction
Time : 10.10-10.50
Biography:
Abstract:
Cobalt (Co) is supported by a Strong Electrostatic Adsorption (SEA) method using Carbon Nanotubes (CNT) catalyst. To promote activity and selectivity and find the optimum loading percentage and its effect on catalyst performance, Manganese (Mn) has been added to the Co/CNT catalyst. Samples were characterized by a Scanning Electron Microscope(SEM-EDX), Transmission Electron Microscope (TEM), Hydrogen Thermal Program Reduction (H2-TPR), Zeta potential, Brunauer–Emmett–Teller (BET), X-ray diffraction (XRD), X-ray Spectroscopy (XPS) TEM images showed an intake of metal particles and they were highly dispersed with a narrow particle size distribution of 6-8 nm to the external and internal CNT support. H2-TPR showed a lower temperature reduction with Mn at 420 °C for FTS reaction. Co-Mn/CNT performance test in Fischer-Tropsch Synthesis (FTS) was carried out at a temperature of 240 °C in a fixed-bed micro-reactor, a pressure of 2.0 MPa. The addition of manganese resulted in a lower methane selectivity and a higher C5+ product with an optimum percentage of 5 percent of manganese. With a CO conversion of 86.6% and a C5+ selectivity of 81.5%, which was higher than the catalysts obtained using only Co on pretreated CNT.
- Modern Approach Towards Pharmaceutical Chemistry | Advanced Chemistry | Technical Aspects of Analytical Chemistry | Discovery and Design of Material chemistry | Emerging Trends in Computer-Aided Drug Design | Latest Discoveries in Green Chemistry | Technological advancement in Organic Synthesis
Location: D-Ballroom-1
Chair
Karen Tarasenko
Chem Space, USA
Co-Chair
Omid Akbarzadeh
University of Malaya | Malaysia
Session Introduction
Weerasak Songoen
Kasetsart University, Thailand
Title: Preliminary antibacterial activity from the stem extracts of Nauclea orientalis and Artocarpus lakoocha
Biography:
Abstract:
The antibacterial activity screening test of the stem extracts of Nauclea orientalis and Artocarpus lakoocha was accomplished using agar well diffusion method. Dried stem of both medicinal plants was sequentially extracted by hexane, dichloromethane, ethyl acetate and methanol. Inhibition zone of the extracts against ten bacterial strains including of Grampositive: Bacillus megaterium, Staphylococcus aureus, Streptococcus agalactiae, Bacillus subtilis and Gram-negative: Escherichia coli, Pseudomonas aeruginosa, Klebsiella pneumonia, Vibrio parahaemolyticus, Salmonella spp., Enterobacter aerogenes wasevaluated at 10,000 ppm concentration. The results revealed that the ethyl acetate and methanol extracts of A. lakoocha showed the inhibition against Vibrio parahaemolyticus, Staphylococcus agalactiae, Escherichia coli and Bacillus subtilis. Furthermore, the dichloromethane extract of N. orientalis and A. lakoocha also exhibited the inhibition against Vibrio parahaemolyticus and Streptococcus agalactiae, respectively. This present study suggested that the stem extracts of A. lakoocha can be applied for developing potential drug candidates from the natural source.
Atcahree Ratwatthananon
Kasetsart University, Thailand
Title: Synthesis and acetylcholinesterase inhibitory activity of piperate ester
Biography:
Abstract:
Piperine is a major alkaloid component of Piper retrofractum fruits, has been reported as an acetylcholinesterase inhibitor.In this study, a series of piperate esters were evaluated the acetylcholinesterase inhibitory activity comparing with piperine using modified Ellman method. These compounds were designed and synthesized from piperine, isolated from P. Retrofractum, by hydrolysis into piperic acid followed esterification with various alcohols to produce the corresponding esters in low to high yields. The results found that menthyl piperate showed acetylcholinesterase inhibitory activity in higher than piperine and the other piperate esters.
Anchulee Pengsook
Kasetsart University , Thailand
Title: Synthesis and insecticidal activity of phenylpropanoids against Spodoptera litura
Biography:
Abstract:
Anchulee Pengsook
Kasetsart University , Thailand
Title: Synthesis and insecticidal activity of phenylpropanoids against Spodoptera litura
