Vasanthanathan Poongavanam
Researcher at Department of Chemistry - BMC; Organic Chemistry; Kihlberg group
- E-mail:
- vasanthanathan.poongavanam@kemi.uu.se
- Visiting address:
- Husargatan 3
752 37 Uppsala - Postal address:
- Box 576
75123 Uppsala
Researcher at Department of Medicinal Chemistry; Preparative Medicinal Chemistry
- E-mail:
- vasanthanathan.poongavanam@ilk.uu.se
- Visiting address:
- Uppsala Biomedicinska Centrum, BMC, Husarg. 3
- Postal address:
- Box 574
751 23 UPPSALA
Researcher at Department of Cell and Molecular Biology; Computational Biology and Bioinformatics
- Visiting address:
- Husargatan 3
752 37 Uppsala - Postal address:
- Box 596
751 24 UPPSALA
Researcher at Department of Cell and Molecular Biology; Computational Biology and Bioinformatics
- Visiting address:
- Husargatan 3
752 37 Uppsala - Postal address:
- Box 596
751 24 UPPSALA
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Short presentation
Docent in Chemistry. Researcher at Science for Life Laboratory, Uppsala University. https://www.scilifelab.se/platforms/ddd.
Biography
Previous Positions:
Forskare:
- Uppsala University, with Prof. Jan Kihlberg (2020-2024)
Postdoctoral Positions:
- Uppsala University, with Prof. Jan Kihlberg (2016-2020)
- University of Southern Denmark, with Prof. Jacob Kongsted (2013-2015)
- University of Vienna, Austria, with Prof. Gerhard F. Ecker (2010-2011)
Education:
- Docent in Chemistry, TekNat, Uppsala University (2024)
- PhD in Computational/Medicinal Chemistry, University of Copenhagen (2010)
Research
Research focuses on applying computational chemistry and artificial intelligence methods to drive drug discovery projects.
Publications
Selection of publications
- Conformational Sampling of Macrocyclic Drugs in Different Environments (2018)
- Opportunities and guidelines for discovery of orally absorbed drugs in beyond rule of 5 space (2018)
- Integrative approaches in HIV-1 non-nucleoside reverse transcriptase inhibitor design (2018)
- Impact of Dynamically Exposed Polarity on Permeability and Solubility of Chameleonic Drugs Beyond the Rule of 5 (2018)
- Toward the Design of Molecular Chameleons (2018)
Recent publications
- Exploring the chemical space of orally bioavailable PROTACs (2024)
- Molecular chameleons in drug discovery (2024)
- Macrocycles in Drug Discovery?Learning from the Past for the Future (2023)
- Predictive Modeling of PROTAC Cell Permeability with Machine Learning (2023)
- Simulation Reveals the Chameleonic Behavior of Macrocycles (2023)
All publications
Articles
- Exploring the chemical space of orally bioavailable PROTACs (2024)
- Molecular chameleons in drug discovery (2024)
- Macrocycles in Drug Discovery?Learning from the Past for the Future (2023)
- Predictive Modeling of PROTAC Cell Permeability with Machine Learning (2023)
- Simulation Reveals the Chameleonic Behavior of Macrocycles (2023)
- Going Viral (2023)
- Linker-Dependent Folding Rationalizes PROTAC Cell Permeability br (2022)
- PROTAC cell permeability and oral bioavailability (2022)
- Enhancing preclinical drug discovery with artificial intelligence (2022)
- Solution Conformations Shed Light on PROTAC Cell Permeability (2021)
- Cell Permeability of Isomeric Macrocycles (2021)
- Mining Natural Products for Macrocycles to Drug Difficult Targets (2021)
- Steering New Drug Discovery Campaigns (2021)
- Solution Conformations Explain the Chameleonic Behaviour of Macrocyclic Drugs (2020)
- Solubility prediction in the bRo5 chemical space (2020)
- Predicting the permeability of macrocycles from conformational sampling – limitations of molecular flexibility (2020)
- Drug Syntheses Beyond the Rule of 5 (2020)
- Macrocyclic Peptides Uncover a Novel Binding Mode for Reversible Inhibitors of LSD1 (2020)
- Conformation of the Macrocyclic Drug Lorlatinib in Polar and Nonpolar Environments (2019)
- Computational Modeling Explains the Multi Sterol Ligand Specificity of the N-Terminal Domain of Niemann-Pick C1-Like 1 Protein (2019)
- Structure-guided approach identifies a novel class of HIV-1 ribonuclease H inhibitors (2018)
- Conformational Sampling of Macrocyclic Drugs in Different Environments (2018)
- Opportunities and guidelines for discovery of orally absorbed drugs in beyond rule of 5 space (2018)
- Integrative approaches in HIV-1 non-nucleoside reverse transcriptase inhibitor design (2018)
- Impact of Dynamically Exposed Polarity on Permeability and Solubility of Chameleonic Drugs Beyond the Rule of 5 (2018)
- Toward the Design of Molecular Chameleons (2018)
Conferences
