panabc.info
Welcome to the panabc.info database, which is part of the PANABC Project. The panabc.info database provides broad-scale information on multitarget ABC transporter modulators and gives a detailed collection of chemical and structural information, modulatory activities, transporter host systems, functional tracers, experimental assays, and associated original literature.
The PANABC Project was founded by Dr. Vigneshwaran Namasivayam and Dr. Sven Marcel Stefan. It was initiated in 2018 and is currently funded by the German Research Foundation (Germ. 'Deutsche Forschungsgemeinschaft', DFG; grant no. #504079349; 2022-2025). Related funding: DFG #466106904 (2021–2023); DFG #446812474 (2020–2023).
The PANABC Network is supported by Prof. Dr. Zhe-Sheng Chen, Department of Pharmaceutical Sciences, College of Pharmacy and Health Sciences, St. John’s University, Queens, New York, United States; Prof. Dr. Thomas Efferth, Department of Pharmaceutical Biology, Johannes-Gutenberg-University of Mainz, Mainz, Germany; Prof. Dr. Marco Falasca, Metabolic Signalling Group, Curtin Health Innovation Research Institute, Curtin University Perth, Perth, Australia; Dr. Patric Jansson, Cancer Drug Resistance and Stem Cell Program, Kolling Institute, The University of Sydney, New South Wales, Australia; Dr. Till Luckenbach, Helmholtz Centre for Environmental Research, Leipzig, Germany, Leipzig, Germany; Dr. Csilla Özvegy-Laczka, Institute of Enzymology, ELKH Research Centre for Natural Sciences, Budapest, Hungary; Prof. Dr. Dr. Jens Pahnke, Translational Neurodegeneration Research and Neuropathology Lab, Department of Pathology, University of Oslo, Oslo, Norway; Dr. Erik Sveberg Dietrichs, Experimental and Clinical Pharmacology, Faculty of Health Sciences, The Arctic University of Norway, Tromsø, Norway; and Prof. Dr. Maojun Yang, School of Life Sciences, Tsinghua University, Beijing, China.
The scope of the project is the direct targeting of all human ABC transporters through a polypharmacological approach for the discovery of novel and potent ABC transporter-targeting diagnostics and therapeutics and to explore particularly under-studied ABC transporters as potential pharmacological targets of the future.
Associated Datasets:
(J. Cheminformatics, under Review)
HD_MDS_Version_1_November_2022
(Int. J. Mol. Sci., accepted November 22, 2022, PMID: to be announced)
ABC_BPMDS_Sci_Data_2022_Curation_Protocol
ABC_BPMDS_Sci_Data_2022_Curation_Protocol_GraphPad_Prism
(Sci. Data 2022, 9 (1), 446. PMID: 35882865)
PANABC_Multitarget_Dataset_Bioinformatics_2021
(Bioinformatics 2022, 38 (5), 1385–1392. PMID: 34888617)
Associated Literature:
Selected Original Research Articles:
Stefan, S. M.*; Jansson, P. J.; Pahnke, J.; Namasivayam, V.# A Curated Binary Pattern Multitarget Dataset of Focused ATP-binding Cassette Transporter Inhibitors. Sci. Data 2022, 9 (1), 446. PMID: 35882865
Namasivayam, V.*; Stefan, K.*; Gorecki, L.; Korabecny, J.; Soukup, O.; Jansson, P. J.; Pahnke, J.; Stefan, S. M.# Physicochemistry Shapes Bioactivity Landscape of Pan-ABC Transporter Modulators: Anchor Point for Innovative Alzheimer’s Disease Therapeutics. Int. J. Biol. Macromol. 2022, 217, 775–791. PMID: 35839956
Namasivayam, V.*; Silbermann, K.; Pahnke, J.; Wiese, M.; Stefan, S. M.# Structural Feature-driven Pattern Analysis for Multitarget Modulator Landscapes. Bioinformatics 2022, 38 (5), 1385-1392. PMID: 34888617
Namasivayam, V.*; Stefan, K.; Pahnke, J.#; Stefan, S. M.# Binding Mode Analysis of ABCA7 for the Prediction of Novel Alzheimer's Disease Therapeutics. Comput. Struct. Biotechnol. J. 2021, 19, 6490–6504. PMID: 34976306
Namasivayam, V.*; Silbermann, K.; Pahnke, J.; Wiese, M.; Stefan, S. M.# Scaffold Fragmentation and Substructure Hopping Reveal Potential, Robustness, and Limits of Computer-aided Pattern Analysis (C@PA). Comput. Struct. Biotechnol. J. 2021, 19, 3269–3283. PMID: 34141145
Namasivayam, V.*; Silbermann, K.; Wiese, M.; Pahnke, J.; Stefan, S. M.# Computer-aided Pattern Analysis to Predict Multitarget ABC Transporter Inhibitors. J. Med. Chem. 2021, 64 (6), 3350–3366. PMID: 33724808
Selected Reviews:
Pahnke, J.; Bascuñana, P.; Brackhan, M.; Stefan, K.; Namasivayam, V.; Koldamova, R.; Wu, J.; Möhle, L.; Stefan, S. M.# Strategies to Gain Novel Alzheimer’s Disease Diagnostics and Therapeutics Using Modulators of ABCA Transporters. Free Neuropathol. 2021, 2, 33. PMID: 34977908
Wiese, M.; Stefan, S. M.# The A-B-C of Small-molecule ABC Transport Protein Modulators: From Inhibition to Activation – a Case Study of Multidrug Resistance-associated Protein 1 (ABCC1). Med. Res. Rev. 2019, 39 (6), 2031–2081. PMID: 30941807
Stefan, S. M.; Wiese, M.# Small-molecule Inhibitors of Multidrug Resistance-associated Protein 1 and Related Processes: A Historic Approach and Recent Advances. Med. Res. Rev. 2019, 39 (1), 176–264. PMID: 29809286
Selected Editorials and Commentaries:
Stefan, K.*; Leck L. Y.-W.*; Namasivayam, V.*; Bascuñana, P.; Huang, M. L.-H.; Riss, P. J.; Pahnke, J.; Jansson, P. J.#; Stefan, S. M.# Vesicular ABC Transporters in Human Disease – Relevant Aspects in Their Organization for Future Drug Development. Future Drug Discov. 2020, 4 (2), FDD51. PMID: to be assigned
Stefan, S. M. Multi-target ABC Transporter Modulators: What Next and Where to Go? Future Med. Chem. 2019, 11 (18), 2353–2358. PMID: 31516029
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