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Bosch i Gimpera Foundation Award

Professor Javier Luque (h-index of 66), Pharmacelera’s Scientific Director, has received the 10th edition award from the Boschi Gimpera Foundation for his technology transfer efforts from the University of Barcelona to Pharmacelera. Professor Luque has supervised the use of molecular models based on Quantum-Mechanics (QM) computations derived from more than 20 years of research for…
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Alignment of PIM-1 Inhibitors with PharmScreen

Pim-1 is an oncogene-encoded serine/threonine kinase. Originally identified in Maloney murine leukaemia, it is involved in several cellular functions associated with survival an proliferation which confers a selective advantage during tumorigenesis [1,2]. Given this implication, it has been used as a cancer drug target [3]. IYZ and LY2 are two bioactive inhibitors of Pim-1. The…
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Are medicinal chemistry CROs complementing their technology with computational chemistry?

Computational chemistry has been embraced by drug discovery as a key complementary technology to medicinal and organic chemistry [1]. For instance, several big pharmaceutical companies arrange research divisions into smaller groups of cross-disciplinary researchers including computational chemists as primary stakeholders operating in a biotech environment [2]. Medicinal chemistry CROs and computational chemistry What is the…
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Ligand-based or structure-based virtual screening?

Virtual screening is a well-known approach in drug discovery projects to find new leads in virtual libraries of small molecules, but it is not clear which of the existing techniques is better. Ligand-based tools are characterized by their speed but do not take into account the receptor while structure-based tools model ligand-receptor interactions but are…
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