Vasanthanathan Poongavanam
Vasanthanathan Poongavanam
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Impact of Dynamically Exposed Polarity on Permeability and Solubility of Chameleonic Drugs Beyond the Rule of 5
MR Sebastiano, BC Doak, M Backlund, V Poongavanam, B Over, ...
Journal of Medicinal Chemistry 61 (9), 4189–4202, 2018
Classification of cytochrome P450 1A2 inhibitors and noninhibitors by machine learning techniques
P Vasanthanathan, O Taboureau, C Oostenbrink, NPE Vermeulen, ...
Drug Metabolism and Disposition 37 (3), 658-664, 2009
Overview of recent strategic advances in medicinal chemistry
G Wu, T Zhao, D Kang, J Zhang, Y Song, V Namasivayam, J Kongsted, ...
Journal of medicinal chemistry 62 (21), 9375-9414, 2019
Ligand and structure-based classification models for prediction of P-glycoprotein inhibitors
F Klepsch, P Vasanthanathan, GF Ecker
Journal of chemical information and modeling 54 (1), 218-229, 2014
Synthesis, analgesic and anti-inflammatory activities of some novel 2, 3-disubstituted quinazolin-4 (3H)-ones
V Alagarsamy, V Muthukumar, N Pavalarani, P Vasanthanathan, ...
Biological and Pharmaceutical Bulletin 26 (4), 557-559, 2003
Solution Conformations Shed Light on PROTAC Cell Permeability
Y Atilaw, Y Poongavanam, CS Nilsson, D Nguyen, A Giese, D Meibom, ...
ACS Med. Chem. Lett. 12 (1), 107–114, 2020
Solution conformations explain the chameleonic behaviour of macrocyclic drugs
E Danelius, V Poongavanam, S Peintner, L Wieske, M Erdelyi, J Kihlberg
Chemistry–A European Journal, 2020
Fingerprint-based in silico models for the prediction of P-glycoprotein substrates and inhibitors
V Poongavanam, N Haider, GF Ecker
Bioorganic & medicinal chemistry 20 (18), 5388-5395, 2012
Virtual screening and prediction of site of metabolism for cytochrome P450 1A2 ligands
P Vasanthanathan, J Hritz, O Taboureau, L Olsen, F Steen Jørgensen, ...
Journal of chemical information and modeling 49 (1), 43-52, 2009
Conformational Sampling of Macrocyclic Drugs in Different Environments: Can We Find the Relevant Conformations?
V Poongavanam, E Danelius, L , Peintner,S, Alcaraz, G Caron, ...
ACS Omega 3, 11742−11757, 2018
Viral M2 Ion Channel Protein: A Promising Target for Anti-influenza Drug Discovery
NSHN Moorthy, V Poongavanam, P V
Mini-Reviews in Medicinal Chemistry 14 (10), 819-830, 2014
Opportunities and guidelines for discovery of orally absorbed drugs in beyond rule of 5 space
V Poongavanam, BC Doak, J Kihlberg
Current Opinion in Chemical Biology 44, 23-29, 2018
Design, synthesis and biological evaluation of tacrine-1, 2, 3-triazole derivatives as potent cholinesterase inhibitors
G Wu, Y Gao, D Kang, B Huang, Z Huo, H Liu, V Poongavanam, P Zhan, ...
MedChemCommun 9, 149-159, 2018
Enhancing preclinical drug discovery with artificial intelligence
RSK Vijayan, J Kihlberg, JB Cross, V Poongavanam
Drug Discovery Today 27 (4), 967-984, 2021
Fast prediction of cytochrome P450 mediated drug metabolism
P Rydberg, P Vasanthanathan, C Oostenbrink, L Olsen
ChemMedChem 4 (12), 2070-2079, 2009
Targeting VEGF with LNA-stabilized G-rich oligonucleotide for efficient breast cancer inhibition
SL Edwards, V Poongavanam, JR Kanwar, K Roy, KM Hillman, N Prasad, ...
Chemical Communications 51 (46), 9499-9502, 2015
Optimization of N-substituted oseltamivir derivatives as potent inhibitors of group-1 and-2 influenza A neuraminidases, including a drug-resistant variant
J Zhang, V Poongavanam, D Kang, C Bertagnin, H Lu, X Kong, H Ju, X Lu, ...
Journal of medicinal chemistry 61 (14), 6379-6397, 2018
Steering New Drug Discovery Campaigns: Permeability, Solubility, and Physicochemical Properties in the bRo5 Chemical Space
G Caron, J Kihlberg, G Goetz, E Ratkova, V Poongavanam, G Ermondi
ACS Medicinal Chemistry Letters 12 (1), 13-23, 2021
Drug syntheses beyond the rule of 5
M Tyagi, F Begnini, V Poongavanam, BC Doak, J Kihlberg
Chemistry–A European Journal 26 (1), 49-88, 2020
Structure-based optimization of N-substituted oseltamivir derivatives as potent anti-Influenza A virus agents with significantly improved potency against oseltamivir-resistant …
J Zhang, NA Murugan, Y Tian, C Bertagnin, Z Fang, D Kang, X Kong, ...
Journal of medicinal chemistry 61 (22), 9976-9999, 2018
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