Day 2 :
Shizuoka University, Japan
Keynote: Preclinical researches on novel sugar dendritic Gd-DTPA MRI contrast agents and IER5/Cdc25B targeted phospha sugar antitumor agents to innovate in cancer therapy
Time : 10:50-11:30
- Drug Designing|Drug Discovery|Biochemistry | Cancer Studies|Organic chemistry | Vaccines and Autism Emerging Infectious Diseases | Chem-Virology | Chemical Biology | Novel Drug Discovery & Drug Delivery
Location: Dallas , USA
Adebayo A. Adeniyi,
Title: Computational study of the anticholinesterase activities and selectivity of phenserine and its analogue hexserine
Adebayo A. Adeniyi is currently a postdoctoral fellow from the University of the Free State, South Africa and is also an academic lecturer at the University of Oye-Ekiti, Nigeria. He got his PhD in chemistry at University of Fort Hare, South Africa in 2014. He specializes in physical and computational chemistry but have a broad knowledge of all area of chemistry. His research interest is to combine both computational and experimental methods for the design of novel molecules for therapeutic application in order to circumvent the present limitations like drug resistance, mutation and adverse side effects in chemotherapy. He has published more than thirty research articles in pear review journals. He is a Nigerian citizen and a Christian by religion. He is married to Joy N. Adeniyi and is blessed with handsome boy called Daniel A.I. Adeniyi
The common cause of dementia among the elderly is known to be Alzheimer’s disease (AD) which is a disorder that results into a decline in progressive cognition and loss of memory due to the degeneration of the central nervous system. The compound HEX has been reported to show strong inhibitory activities against AChE than PHE and a very high selectivity for enzyme AChE over the enzyme BChE when compare to PHE (174-fold). The interest of this study is therefore use for classical molecular dynamic methods (CMD) and accelerated molecular dynamics (AMD) to give further insight into the selectivity of the HEX than PHE in their interaction with both AChE and BchE. High similarity in the RMSD of the two ligands with both AChE and BChE during the CMD and AMD trajectory were observed. Towards the end of the 20ns simulation of the AMD trajectory, the ligand HER seams to imposed new conformational change that resulted into its higher RMSD compare to the ligand PHR in both their interaction with AChE and BChE. As expected, a higher value of the RMSD was recorded for the AMD trajectory compare to CMD which is an indication of a greater number of conformational changes in the protein during the AMD. Our results show that the possible factors that contributes to the lower binding energy of PHE compare to HER especially in their interaction with AChE is as a result of penalizing effects of the generalized born solvent (ΔEegb), poisson boltzmann solvent (ΔEepb) and free energy of solvation (ΔGsolv).
Xiaowei Dong received a BS in Industrial Analysis and a MS in Applied Chemistry from the universities in China, and a PhD in Pharmaceutical Sciences from the University of Kentucky. She was selected as one of six students nationwide to participate in the 2008 AAPS Graduate Student Symposium in Drug Delivery and Pharmaceutical Technology. She has worked as a Lead Formulator for drug development at Novartis Pharmaceutical Corporation for four years. In 2013, she has joined UNT Health Science Center as an Assistant Professor in the Department of Pharmaceutical Sciences at the College of Pharmacy. Her research has focused on drug delivery and formulation development.
Oral dosage forms are the most common for medications. Optimization of bioavailability of orally administered drugs is one of the most important aims for pharmaceutical research. Solubility and permeability are two keys to achieve adequate oral bioavailability. The current target-based drug discovery approaches have tendency to drug-like compounds with poor solubility and/or poor permeability. Low bioavailability and inter- and intra-subject variability is often associated with these drugs because of their poor intestinal permeation and absorption. Thus, it is critical to develop novel formulation technologies to improve bioavailability for these drugs. Lipid nanoparticles or formulations have great potential to improve bioavailability of poorly water-soluble drugs by solving solubility issues. However, oral delivery of lipid formulations is limited because of the issues on stability, manufacturing and storage attributed to their liquid nature. Recently, we successfully developed the novel nanotechnology platform that applies the benefit of lipid nanoparticle for oral solid dosage forms. In this nanotechnology, we prepare solid granules that produces in situ self-assembly nanoparticles (ISNPs) when the granules are introduced to water with gentle agitation. The ISNP nanotechnology is not only scientifically novel, but also behaviorally superior to other existing technologies. The manufacturing of ISNP granules is very simple and scalable. We dramatically increased drug loading to 16% and bioavailability over 2.3-fold compared to commercial tablets by using the ISNP nanotechnology. Furthermore, the ISNP granules masked the bad taste of drugs. Thus, this novel ISNP nanotechnology has great potential for widespread applications to formulate poorly water-soluble and/or poorly permeable drugs in oral solid dosage forms. All these advances of the ISNP nanotechnology could significantly inspire and contribute to other novel applications of lipid-based excipients and/ or formulations in the field.