Abstract
Herein, we are proposing a novel and radical pipeline that will facilitate the repurposing of approved drugs in an unprecedented way that will eventually yield invaluable insights and results that will aid the pharma-medical domain to tackle many more pathologies using weaponry that has already been approved, is safe for the public, is very rapid relatively to conventional drug design and requires no further significant investment to be made. The ultimate goal is to develop a novel clinical concept and establish a computer-aided pipeline that will facilitate and rationalize the repurposing of approved drugs, orphan drugs and generics. The end result of the described pipeline is a competitive and reliable software that will be made available for the scientific community.
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References
Dalkas, G.A., Vlachakis, D., Tsagkrasoulis, D., Kastania, A., Kossida, S.: State-of-the-art technology in modern computer-aided drug design. Briefings Bioinf. 14, 745–752 (2013). https://doi.org/10.1093/bib/bbs063
Tsagrasoulis, D., Vlachakis, D., Megalooikonomou, V., Kossida, S: Introducing Drugster: a comprehensive and fully integrated drug design, lead and structure optimization toolkit. Bioinformatics 29, 126–128 (2013e). https://doi.org/10.1093/bioinformatics/bts637
Antoniou, N., et al.: A motif within the armadillo repeat of Parkinson’s-linked LRRK2 interacts with FADD to hijack the extrinsic death pathway. Sci. Rep. 8 (2018). https://doi.org/10.1038/s41598-018-21931-8
Amidi, A., Amidi, S., Vlachakis, D., Megalooikonomou, V., Paragios, N., Zacharaki, E.I.: EnzyNet: enzyme classification using 3D convolutional neural networks on spatial representation. PeerJ (2018). https://doi.org/10.7717/peerj.4750
Kontopoulos, D.G., Vlachakis, D., Tsiliki, G., Kossida, S.: Structuprint: a scalable and extensible tool for two-dimensional representation of protein surfaces. BMC Struct. Biol. 16 (2016b). https://doi.org/10.1186/s12900-016-0055-7
Papageorgiou, L., Cuong, N.T., Vlachakis, D.: Antibodies as stratagems against cancer. Mol. BioSyst. 12(7), 2047–2055 (2016). https://doi.org/10.1039/c5mb00699f
Papageorgiou, L., Vlachakis, D.: Antisoma application: a fully integrated V-like antibodies platform AIMS. Med. Sci. 4, 382–394 (2017). https://doi.org/10.3934/medsci.2017.4.382
Tsiliki, G., Vlachakis, D., Kossida, S.: On integrating multi-experiment microarray data. Philos. Trans. R. Soc. A Math. Phys. Eng. Sci., 372 (2014). https://doi.org/10.1098/rsta.2013.0136
Vlachakis, D.: Theoretical study of the Usutu virus helicase 3D structure, by means of computer- aided homology modelling. Theor. Biol. Med. Model. 6, 9 (2009). https://doi.org/10.1186/1742-4682-6-9
Vlachakis, D., Bencurova, E., Papangelopoulos, N., Kossida, S.: Current state-of-the-art molecular dynamics methods and applications. In: Advances in Protein Chemistry and Structural Biology, vol. 94, pp. 269–313. Academic Press (2014b). https://doi.org/10.1016/b978-0-12-800168-4.00007-x
Vlachakis, D., Fakourelis, P., Megalooikonomou,V., Makris, C., Kossida, S.: DrugOn: a fully integrated pharmacophore modeling and structure optimization toolkit. PeerJ (2015). https://doi.org/10.7717/peerj.725
Vlachakis, D., Koumandou, V.L., Kossida, S.: A holistic evolutionary and structural study of flaviviridae provides insights into the function and inhibition of HCV helicase. PeerJ (2013c). https://doi.org/10.7717/peerj.74
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Vlachakis, D. (2020). Introducing Drugonfly; A Novel Computer-Aided Drug Repurposing Pipeline Based on Genomic, Structural and Physicochemical Profiles. In: Frasson, C., Bamidis, P., Vlamos, P. (eds) Brain Function Assessment in Learning. BFAL 2020. Lecture Notes in Computer Science(), vol 12462. Springer, Cham. https://doi.org/10.1007/978-3-030-60735-7_13
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