Christian Sköld
Senior Lecturer/Associate Professor at Institutionen för läkemedelskemi; Läkemedelsdesign och läkemedelsutveckling
- Telephone:
- +46 18 471 42 85
- E-mail:
- christian.skold@ilk.uu.se
- Visiting address:
- Biomedicinskt Centrum BMC, Husargatan 3
- Postal address:
- Box 574
751 23 UPPSALA
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Short presentation
Academic training: Master of Science in Chemical Engineering (pharmaceutical profile), PhD, Associate Professor (docent level).
Biography
My research is focused within two general research areas in the field of computational medicinal chemistry. One area is to develop and evaluate methods that are useful and effective for medicinal chemistry and drug discovery projects. The second area is to find promising chemical starting points for medicinal chemistry projects and aid in the development of these compounds using computer-aided drug design and multivariate analysis. The latter research area also includes theoretical investigations of reaction mechanisms in pharmaceutically relevant chemical reactions to provide a deep understanding of the reactions and to develop improved reactions protocols and reaction variants useful in the development of drugs or pharmacological probes.
Publications
Recent publications
- Hybrid Machine Learning Approach to Predict the Site Selectivity of Iridium-Catalyzed Arene Borylation (2023)
- Enantioselective Synthesis of Atropisomeric Biaryls using Biaryl 2,5-Diphenylphospholanes as Ligands for Palladium-Catalysed Suzuki-Miyaura Reactions (2021)
- Organic reactivity from mechanism to machine learning (2021)
- Computational studies of molecular pre-organization through macrocyclization (2021)
- Synthesis and preclinical evaluation of the CRTH2 antagonist [11C]MK-7246 as a novel PET tracer and potential surrogate marker for pancreatic beta-cell mass (2019)
All publications
Articles
- Hybrid Machine Learning Approach to Predict the Site Selectivity of Iridium-Catalyzed Arene Borylation (2023)
- Enantioselective Synthesis of Atropisomeric Biaryls using Biaryl 2,5-Diphenylphospholanes as Ligands for Palladium-Catalysed Suzuki-Miyaura Reactions (2021)
- Organic reactivity from mechanism to machine learning (2021)
- Computational studies of molecular pre-organization through macrocyclization (2021)
- Synthesis and preclinical evaluation of the CRTH2 antagonist [11C]MK-7246 as a novel PET tracer and potential surrogate marker for pancreatic beta-cell mass (2019)
- Relative Strength of Common Directing Groups in Palladium-Catalyzed Aromatic C-H Activation (2019)
- High affinity rigidified AT(2) receptor ligands with indane scaffolds (2019)
- An imidazole based H-Phe-Phe-NH2 peptidomimetic with anti-allodynic effect in spared nerve injury mice (2018)
- Microwave-Assisted Branching Cascades (2016)
- Efficient and Selective Palladium-Catalysed C-3 Urea Couplings to 3,5-Dichloro-2(1H)-pyrazinones (2015)
- Toward a Benchmarking Data Set Able to Evaluate Ligand- and Structure-based Virtual Screening Using Public HTS Data (2015)
- Virtual Screening for Transition State Analogue Inhibitors of IRAP Based on Quantum Mechanically Derived Reaction Coordinates (2015)
- Interconversion of Functional Activity by Minor Structural Alterations in Nonpeptide AT2 Receptor Ligands (2015)
- Inhibition of Insulin-Regulated Aminopeptidase (IRAP) by Arylsulfonamides (2014)
- Palladium(II) catalyzed desulfitative coupling reactions of sodium aryl sulfinates and nitriles (2014)
- Palladium(II)-Catalyzed Desulfitative Synthesis of Aryl Ketones from Sodium Arylsulfinates and Nitriles (2014)
- Constrained H-Phe-Phe-NH2 Analogues With High Affinity to the Substance P 1-7 Binding Site and With Improved Metabolic Stability and Cell Permeability (2013)
- Decarboxylative Palladium(II)-Catalyzed Synthesis of Aryl Amidines from Aryl Carboxylic Acids (2013)
- Aminocarbonylation of 4-Iodo-1H-imidazoles with an Amino Acid Amide Nucleophile (2013)
- Theoretical and Experimental Investigation of Palladium(II)-Catalyzed Decarboxylative Addition of Arenecarboxylic Acid to Nitrile (2013)
- One-Pot, Two-Step, Microwave-Assisted Palladium-Catalyzed Conversion of Aryl Alcohols to Aryl Fluorides via Aryl Nonaflates (2013)
- From the First Selective Non-Peptide AT(2) Receptor Agonist to Structurally Related Antagonists (2012)
- Synthesis of functionalized furopyrazines as restricted dipeptidomimetics (2012)
- Transmetallation Versus β-Hydride Elimination (2012)
- Virtual Screening Data Fusion Using Both Structure- and Ligand-Based Methods (2012)
- Discovery of Dipeptides with High Affinity to the Specific Binding Site for Substance P1-7 (2010)
- Chemistry and folding of photomodulable peptides (2008)
- Modeling binding modes of angiotensin II and pseudopeptide analogues to the AT2 receptor (2008)
- Synthesis of a new class of druglike angiotensin II C-terminal mimics with affinity for the AT2 receptor (2007)
- Development of CoMFA models of affinity and selectivity to angiotensin II type-1 and type-2 receptors (2007)
- Design, synthesis, and incorporation of a beta-turn mimetic in angiotensin II forming novel pseudopeptides with affinity for AT(1) and AT(2) receptors (2006)
- Presentation of a structurally diverse and commercially available drug data set for correlation and benchmarking studies. (2006)
- New selective AT2 receptor ligands encompassing a γ-turn mimetic replacing the amino acid residues 4-5 of angiotensin II act as agonists (2005)
- Synthesis and AT2 receptor-binding properties of angiotensin II analogues (2004)
- A Selective AT2 Receptor Ligand with a γ-Turn-Like Mimetic replacing the Amino Acid Residues 4-5 of Angiotensin II (2004)
- Prediction of anti-leishmanial drug targets using metabolite-based target fishing
- Multi-targeting the folate pathway is a promising strategy against Leishmania tropica
Books
