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3'-axial CH2 OH substitution on glucopyranose does not increase glycogen phosphorylase inhibitory potency. QM/MM-PBSA calculations suggest why.
Manta S, Xipnitou A, Kiritsis C, Kantsadi AL, Hayes JM, Skamnaki VT, Lamprakis C, Kontou M, Zoumpoulakis P, Zographos SE, Leonidas DD, Komiotis D. Manta S, et al. Among authors: zoumpoulakis p. Chem Biol Drug Des. 2012 May;79(5):663-73. doi: 10.1111/j.1747-0285.2012.01349.x. Epub 2012 Mar 7. Chem Biol Drug Des. 2012. PMID: 22296957
Design, synthesis and biological evaluation of cyclic angiotensin II analogues with 3,5 side-chain bridges. Role of C-terminal aromatic residue and ring cluster for activity and implications in the drug design of AT1 non-peptide antagonists.
Roumelioti P, Polevaya L, Zoumpoulakis P, Giatas N, Mutule I, Keivish T, Zoga A, Vlahakos D, Iliodromitis E, Kremastinos D, Grdadolnik SG, Mavromoustakos T, Matsoukas J. Roumelioti P, et al. Among authors: zoumpoulakis p. Bioorg Med Chem Lett. 2002 Sep 16;12(18):2627-33. doi: 10.1016/s0960-894x(02)00474-2. Bioorg Med Chem Lett. 2002. PMID: 12182875
2D NMR and conformational analysis of a prototype anti-tumour steroidal ester.
Kapou A, Fousteris MA, Nikolaropoulos SS, Zervou M, Grdadolnik SG, Zoumpoulakis P, Kyrikou I, Mavromoustakos T. Kapou A, et al. Among authors: zoumpoulakis p. J Pharm Biomed Anal. 2005 Jul 1;38(3):428-34. doi: 10.1016/j.jpba.2005.01.012. Epub 2005 Feb 17. J Pharm Biomed Anal. 2005. PMID: 15925243
Synthesis, in silico docking experiments of new 2-pyrrolidinone derivatives and study of their anti-inflammatory activity.
Moutevelis-Minakakis P, Papavassilopoulou E, Michas G, Georgikopoulou K, Ragoussi ME, Neophytou N, Zoumpoulakis P, Mavromoustakos T, Hadjipavlou-Litina D. Moutevelis-Minakakis P, et al. Among authors: zoumpoulakis p. Bioorg Med Chem. 2011 May 1;19(9):2888-902. doi: 10.1016/j.bmc.2011.03.044. Epub 2011 Apr 1. Bioorg Med Chem. 2011. PMID: 21507662
The σ-hole phenomenon of halogen atoms forms the structural basis of the strong inhibitory potency of C5 halogen substituted glucopyranosyl nucleosides towards glycogen phosphorylase b.
Kantsadi AL, Hayes JM, Manta S, Skamnaki VT, Kiritsis C, Psarra AM, Koutsogiannis Z, Dimopoulou A, Theofanous S, Nikoleousakos N, Zoumpoulakis P, Kontou M, Papadopoulos G, Zographos SE, Komiotis D, Leonidas DD. Kantsadi AL, et al. Among authors: zoumpoulakis p. ChemMedChem. 2012 Apr;7(4):722-32. doi: 10.1002/cmdc.201100533. Epub 2012 Jan 20. ChemMedChem. 2012. PMID: 22267166
105 results