BioAscent enhances its computational chemistry services

Ongoing recruitment strengthens teams in all areas of integrated discovery

5 May 2021
Tom Casburn
Associate Editor

Product news

BioAscent, the leading provider of integrated drug discovery services, has appointed Dr Angelo Pugliese as Associate Director of In Silico Discovery and Data Analysis to lead the company’s computational chemistry service. As well as enhanced computational chemistry capabilities, BioAscent has also strengthened its medicinal chemistry team with the appointment of Dr Duncan McArthur as Associate Director. The new appointments underline the company’s continuing growth in all areas of drug discovery services.

Computational chemistry, molecular modelling, CADD (Computer-Aided Drug Design), cheminformatics and data analysis applications help reduce R&D costs and time and add valuable scientific insights. BioAscent’s computational drug designers use a state-of-the-art hardware and software platform and can, for example, run ultra-large virtual screenings of billions of compounds in a ligand-based fashion, and millions of compounds in a structure-based fashion. Full computational chemistry services include: In silico target assessment; Protein modelling; Ligand modelling; Library design; In silico hit finding; Protein-ligand interaction analysis; Fragment-based drug design; Lead optimisation; Cheminformatics; and Machine learning and data analysis.

Headed by Dr Pugliese, a highly experienced computational chemist with over 15 years’ experience working across different organisations in the US and UK, and co-author on more than 30 publications, BioAscent’s computational chemistry team works in concert with its medicinal chemistry and biosciences groups, applying the right computational methodologies to help drive successful drug discovery projects for our customers.

The recently appointed Associate Director Medicinal Chemistry, Dr McArthur, has worked in the pharmaceutical and not-for-profit sectors for over 18 years. With broad scientific expertise in oncology and other therapeutic areas, working in both lead finding and lead optimisation project teams, Dr McArthur is expert in fragment-based hit finding strategies and developing HTS campaigns.

Commenting on the appointments Paul Smith, BioAscent’s CEO, said: “Access to state-of-the-art equipment and facilities is one aspect that sets us apart, however it’s the calibre of our scientific team that’s the real basis of our success, especially with innovative and virtual biotechs. Which is why we’ve moved to appoint senior scientists with the expertise of Angelo and Duncan. They join a team of over 50, dedicated to delivering successful drug discovery projects efficiently and cost-effectively for our clients.”

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Combinatorial ChemistryCombinatorial chemistry, also known as combichem, is a technique used in drug discovery to create libraries of structurally related compounds. A library is generated by synthesis with a chemical reactor system or by computer-based modeling of compound combinations. When undertaking combinatorial chemistry consider reagents, buffers, resins and standards.Process ChemistryProcess chemistry is an important stage of drug development for scaling-up drug production or chemical synthesis reactions. It is useful for optimizing economical and efficient drug production. Process chemistry uses reactors and pump systems as well as reagents, standards and buffers.Flow ChemistryFlow chemistry describes a chemical reaction being carried out continuously rather than in a batch process. The reagents are pumped through a pipe and forced together at a mixing junction, where they are allowed to combine until the reaction is stopped.Drug DiscoveryDrug discovery is the process of identifying potential new medications, involving stages such as target identification, compound screening, and preclinical development. It relies on cutting-edge technologies like high-throughput screening, artificial intelligence, and molecular modeling to accelerate the identification of drug candidates. Drug discovery plays a pivotal role in developing new therapies for diseases ranging from cancer to rare genetic disorders. Browse our peer-reviewed product directory to find the latest drug discovery technologies, compare options, check customer feedback, and get pricing directly from manufacturers.Synthetic ChemistryDrug DevelopmentDrug development refers to the process of bringing a new drug to market.