Computed Properties of C6H5NO. Welcome to talk about 500-22-1, If you have any questions, you can contact Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R or send Email.
An article Structure-based exploration and pharmacological evaluation of N-substituted piperidin-4-yl-methanamine CXCR4 chemokine receptor antagonists WOS:000456762500044 published article about FRAGMENT-LIKE LIGANDS; HISTAMINE H-4; MOLECULAR INTERACTION; CRYSTAL-STRUCTURE; HIV ENTRY; IN-VITRO; DISCOVERY; BINDING; INHIBITION; DOCKING in [Adlere, I.; de Esch, I. J. P.; Leurs, R.] Griffin Discoveries BV, Amsterdam, Netherlands; [Sun, S.; Zarca, A.; Roumen, L.; Gozelle, M.; Arimont, M.; Bebelman, J. P.; Smit, M. J.; Vischer, H. F.; Wijtmans, M.; de Graaf, C.; de Esch, I. J. P.; Leurs, R.] Vrije Univ Amsterdam, Fac Sci, Amsterdam Inst Mol Med & Syst, Div Med Chem, De Boelelaan 1108, NL-1081 HZ Amsterdam, Netherlands; [Gozelle, M.] Gazi Univ, Fac Pharm, Dept Pharmaceut Chem, TR-06560 Ankara, Turkey; [Viciano, C. Perpina; Hoffmann, C.] Friedrich Schiller Univ Jena, Univ Hosp Jena, Ctr Mol Biomed, Inst Mol Cell Biol, Hans Knoll Str 2, D-07745 Jena, Germany; [Viciano, C. Perpina; Hoffmann, C.] Univ Wurzburg, Inst Pharmacol & Toxicol, Versbacher Str 9, D-97078 Wurzburg, Germany; [Caspar, B.; Briddon, S. J.; Hill, S. J.] Univ Nottingham, Sch Life Sci, Div Pharmacol Physiol & Neurosci, Nottingham NG7 2UH, England; [Caspar, B.; Briddon, S. J.; Hill, S. J.] Univ Nottingham, Sch Life Sci, Ctr Membrane Prot & Receptors COMPARE, Nottingham NG7 2UH, England in 2019.0, Cited 80.0. Computed Properties of C6H5NO. The Name is 3-Pyridinecarboxaldehyde. Through research, I have a further understanding and discovery of 500-22-1
Using the available structural information of the chemokine receptor CXCR4, we present hit finding and hit exploration studies that make use of virtual fragment screening, design, synthesis and structure activity relationship (SAR) studies. Fragment 2 was identified as virtual screening hit and used as a starting point for the exploration of 31 N-substituted piperidin-4-yl-methanamine derivatives to investigate and improve the interactions with the CXCR4 binding site. Additionally, subtle structural ligand changes lead to distinct interactions with CXCR4 resulting in a full to partial displacement of CXCL12 binding and competitive and/or non-competitive antagonism. Three-dimensional quantitative structure-activity relationship (3D-QSAR) and binding model studies were used to identify important hydrophobic interactions that determine binding affinity and indicate key ligand-receptor interactions. (C) 2018 Elsevier Masson SAS. All rights reserved.
Computed Properties of C6H5NO. Welcome to talk about 500-22-1, If you have any questions, you can contact Adlere, I; Sun, S; Zarca, A; Roumen, L; Gozelle, M; Viciano, CP; Caspar, B; Arimont, M; Bebelman, JP; Briddon, SJ; Hoffmann, C; Hill, SJ; Smit, MJ; Vischer, HF; Wijtmans, M; de Graaf, C; de Esch, IJP; Leurs, R or send Email.
Reference:
Pyridine – Wikipedia,
,Pyridine | C5H5N – PubChem