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On September 26, the 2024 BIONNOVA Forum was successfully held in Beijing, focusing on hot topics such as antibody drugs, cell and gene therapy, small molecule drugs, nucleic acid drugs, peptide drugs, and antibody- and peptide- conjugated drugs. The event brought together numerous industry leaders to share cutting-edge breakthroughs and discuss trends in preclinical research, clinical development, and CMC production processes. As a leading one-stop CRO/CDMO service provider, Viva Biotech was invited to participate in the exhibition. Dr. Jianhua Cai, Senior Vice President of Viva Biotech, delivered an insightful presentation titled "Artificial Intelligence (AI) Empowered Structure-Based One-Stop Drug Discovery Platform."
Dr. Jianhua Cai
Senior Vice President of Viva Biotech
Dr. Cai began by introducing the evolution of computational technology from QM/MM force fields, also known as first principle method, to the captivating generative AI technology, highlighting AI's significant impact on the pharmaceutical industry. Through a series of collaborative cases between big pharmaceutical companies and AI-driven biotechs from 2021 to 2024, Dr. Cai illustrated how AI technologies are attracting attention from these well-established pharmaceutical companies. In this context, he introduced Viva Biotech’s strategy of embracing AI and using AI to integrate the traditional structure-based drug discovery (SBDD) technology which makes Viva Biotech well known in the industry. With the AI-empowered SBDD strategy, Viva Biotech created a unique AI-enabled SBDD one-stop R&D service platform for innovative novel drugs which greatly facilitate the drug discovery process on new therapeutic targets, novel mechanisms of action (MOA) and new modalities.
Viva integrates multiple advanced physics-based methods and cutting-edge AI algorithms including molecular dynamics (MD), free energy perturbation (FEP), virtual screening(VS) , de novo design, ADME/PK predictions, and beyond into a unique AIDD/CADD platform. The AIDD/CADD platform was further consolidated with Viva Biotech's wet-lab platforms such as structural biology, high-throughput hit screening (HTS), Cryo-EM, bioassay, medicinal chemistry, antibody discovery, peptide discovery, pharmacology and DMPK to enable a highly efficient drug discovery service for our clients covering modalities like small molecules, antibodies, peptides/cyclic peptides, and RNA-targeting small molecules.
Dr. Cai shared several successful drug discovery case studies at Viva Biotech, including the use of CoSolvent MD to identify potential binding sites in membrane protein targets, discovering cryptic binding pockets for an enzyme which enabled the virtual screening of 200k viva diversity library to identify novel enzymatic activators, and using ultra-long molecular dynamics to study the selectivity mechanism of two covalent inhibitors against two kinases which was further applied for rational drug design. Last but not the least, he demonstrated the ability of the Viva Biotech CADD/AIDD platform on antibody patent busting and de novo peptide design ranging from conformation sampling, structural prediction, and affinity evaluation, all of which illustrated the platform’s broad application potential.
Case Study: MD with Probe Molecules for Identifying the Potential Binding Sites
Case Study: Compound Binding Sites on Human Membrane Proteins and Lead Compound Discovery
Case Study: Molecular dynamics identified an allosteric binding pocket and found enzyme activators through virtual screening
Case Study: Ultra-long molecular dynamics to study the selectivity mechanism of kinase covalent inhibitors
Case Study: Antibody patent busting
Case Study: De novo peptide design, conformational sampling, structure prediction, and affinity evaluation
During the exhibition, Viva Biotech's team warmly received the visitors and engaged in in-depth communications with them about the company’s extensive experience and innovative technology in drug discovery and development. The team showcased a range of cutting-edge technology platforms, including AIDD/CADD, XDC, PROTAC/Molecular Glue, protein production and structural research, membrane protein technology, Cryo-EM, Hit screening, Bioassay, DMPK, and therapeutic antibody discovery. Among these, the AIDD and CADD platform drew significant interests and led to heated discussion. Moving forward, we look forward to more technological exchanges with industrial and academic partners in the future events and advancing the innovation path of biopharmaceutical industry together.
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