orthopaedics-2021
June 24, 2021
Scientific Program
Keynote Session:
Title: PRESENT AND FUTURE COLLABORATIVE DRUG DISCOVERY INFORMATICS INNOVATIONS
Biography:
Barry A. Bunin, Ph.D. is the CEO of Collaborative Drug Discovery. Dr. Bunin has overseen $50 million in business transactions over the last two decades. Prior to CDD, he was an Entrepreneur in Residence with Eli Lilly & Co. Dr. Bunin is on a patent for Kyprolis™ (Carfilzomib for Injection) — a selective proteasome inhibitor that received accelerated FDA approval for the treatment of patients with multiple myeloma that was widely viewed as the centerpiece of Amgen’s $10.4 Billion acquisition of Onyx Pharmaceuticals.
Abstract:
Collaborative Drug Discovery (CDD) provides a whole solution for today’s biological and chemical data needs, differentiated by ease-of-use and superior collaborative capabilities. CDD Vault® software includes Activity & Registration, Visualization, Inventory, and ELN capabilities. Researchers can archive, mine, and securely collaborate within CDD Vault. Collaborative hypothesis generation and evaluation allow multiple perspectives for multi-parameter optimization.
CDD’s Research Informatics Group invents bleeding edge technologies. For example, the recently developed BioHarmony data store provides real-time semantic drug reports online at www.biometadata.com. In addition, BioHarmony Annotator allows more sophisticated assay registration and management.
Case studies will be shared from industry (Jubilant Biosys), government (NIH Neuroscience Blueprint), non-profit (Gates Foundation), and numerous leading academic collaborations.
Title: Application of Machine Learning in Drug Discovery for Drug Candidate Selection
Biography:
Dr. Pillai is one of the coordinator for Drug Discovery Hackathon 2020, Director and Founder of Zastra Innovations, Bengaluru, visiting Scientist at Nyro Research India and formerly a Marie Curie Research Fellow at Molcode Ltd., Estonia. He carried out his PhD at University of Florida with Prof. Katritzky and Prof. Karelson, University of Tartu. He holds 40 research papers in peer reviewed international journals, 1 US patent and coauthored a book chapter on mosquito repellents. His expertise are in the area of computational medicinal chemistry, mechanistic driven drug discovery and molecular modelling. Currently he has a PhD student working under him in the area of ageing and biomarkers. Apart from scientific positions he is reviewer to ACS, Wiley and Elseiver journals also a mentor at IIIT Kottayam, Govt of India’s Niti Ayog ATL schools and research advisor to few academia
Abstract:
Computer aided design plays an important role in the phase of drug discovery and has considerably improved in the last decade with candidate selection and decision-making process. A successful, efficacious and safe drug must achieve a balance of many properties, including potency and appropriate physicochemical, absorption, distribution, metabolism, excretion and toxicity (ADMET) properties. Exploring the latest developments in methods that guide compound selection, which help to quickly target compounds with the best balance of properties for a drug discovery is objective. Predictive modelling of ADMET properties and how these models can be used to guide the design of improved compounds are trivial. Understanding of 3-dimensional (3D) structure-based design information can be linked with 2D SAR analysis is vital to meet the requirements of a drug, such as: (i) bind to biological target invivo (ii) pass through cell membrane or blood-brain barrier (iii) remain long enough to be effective (iv) eliminate from the body by metabolism, excretion, or other means. Use innovative, new methods to explore your complex data to find interpretable, multi-parameter scoring profiles, tailored to identify compounds for your drug discovery objective. The resulting scoring profiles will help you to quickly target compounds with a higher chance of success.
Title: *: 6-Azaindole GNF2133 as DYRK1A Inhibitor for Promoting β-Cell Proliferation
Biography:
Yahu A. Liu is Senior Outsourcing Manager and a Principal Scientist (II) at GNF/Novartis Institutes for BioMedical Research, and also serves as a Vice Chairman of the Board of Directors in Sino-American Biotechnology and Pharmaceutical Professional Association (SABPA). Yahu has 25+ years of experience in drug discovery and development. He previously worked in medicinal chemistry teams at ChemBridge, Vertex, and Pfizer. Prior to coming to the states, he had worked as an associate director in the Chinese Institute of Standards and Technology, CTO of Huarui Fine Chemical Co. Ltd. and a Certificate Engineer (Process Chemistry) at WH Chemical Co. (Beijing, China). In drug discovery research, Yahu has contributed to four drug/drug candidates. His main contribution to organic chemistry includes his discovery of three rearrangement reactions and syntheses of two natural products. He has been a co-editor of one book, a member of the editorial boards of two biochemistry journals, an issue editor of two journals, a co-organizer of 40+ conferences/symposiums, and a co-author of ~160 publications, patents and conference presentations. He received SABPA Distinguished Service Award in 2017, SABPA Outstanding Service and Leadership Award in 2016, SABPA Outstanding Leadership Award in 2011, SABPA Achievement Award in 2008 and SBTSC Scientific and Technical Achievement award twice.
Yahu received his Ph.D. degree from Case Western Reserve University in the laboratory of the late Prof. Lawrence M. Sayre (Chemistry/Pathology/Environmental Health). He earned a degree of Master of Engineering from Beijing Institute of Light Industry and obtained his early chemical education at Shanxi Teacher’s College (China).
Abstract:
Either type I or type II diabetes results from insufficient pancreatic β-cell mass or function. Dual specificity tyrosine-regulated kinase 1A (DYRK1A) plays a key role in pancreatic β-cell proliferation. Hence, inhibition of DYRK1A to regenerate functional insulin-producing β-cells could be an approach toward diabetes intervention. Through medicinal chemistry optimization of an initial hit, we identified DYRK1A inhibitor 6-azaindole GNF2133 which demonstrated significant dose-dependent glucose disposal capacity and insulin secretion in response to GPAIS challenge in RIP-DTA mice. The work offers a potential to treat diabetes with oral therapies by restoring βâ€cell mass, insulin content and glycemic control.
