Structural basis for endoperoxide-forming oxygenases

• Takahiro Mori and
• Ikuro Abe

Beilstein J. Org. Chem. 2022, 18, 707–721, doi:10.3762/bjoc.18.71

• observed in typical Fe/2OG-dependent oxygenases (Figure 3A). The Fe(II) is coordinated by His129, Asp131, His205, and 2OG in the binary complex structure of FtmOx1 with 2OG. In this structure, Tyr224 is close to the putative oxygen binding site (Figure 3B). Furthermore, the variants in which Tyr224 is

NMR Spectroscopy of supramolecular chemistry on protein surfaces

• Peter Bayer,
• Anja Matena and
• Christine Beuck

Beilstein J. Org. Chem. 2020, 16, 2505–2522, doi:10.3762/bjoc.16.203

• relative intensities of the binary complex in the absence of a stabilizing ligand indicate kinetics of the binding equilibrium in the fast-to-intermediate time regime, resulting in line broadening. In the presence of a stabilizing ligand, a ternary complex consisting of 14-3-3, the peptide and the ligand

Selective detection of DABCO using a supramolecular interconversion as fluorescence reporter

• Indrajit Paul,
• Debabrata Samanta,
• Sudhakar Gaikwad and
• Michael Schmittel

Beilstein J. Org. Chem. 2019, 15, 1371–1378, doi:10.3762/bjoc.15.137

• this setting, the binary complex 12 = [(4)(10)2] and the heteroleptic metal complex 11 = [Cu(8)(9)]+ quantitatively formed side by side in a two-fold completive self-sorting. Lutidine 9 has a higher binding preference towards the copper phenanthroline [Cu(8)]+ (log K(9)·[Cu(8)]+ = 4.60 ± 0.21

Asymmetric Michael addition reactions catalyzed by calix[4]thiourea cyclohexanediamine derivatives

• Zheng-Yi Li,
• Hong-Xiao Tong,
• Yuan Chen,
• Hong-Kui Su,
• Tangxin Xiao,
• Xiao-Qiang Sun and
• Leyong Wang

Beilstein J. Org. Chem. 2018, 14, 1901–1907, doi:10.3762/bjoc.14.164

• acetylacetone on the nitrostyrene creates a new C–C bond forming binary complex C from which the enantioselective product is released. Conclusion In summary, we have synthesized a series of upper rim-functionalized calix[4]arene-based chiral cyclohexanediamine thiourea catalysts 1–3 and tested as

Towards open-ended evolution in self-replicating molecular systems

• Herman Duim and
• Sijbren Otto

Beilstein J. Org. Chem. 2017, 13, 1189–1203, doi:10.3762/bjoc.13.118

• it via noncovalent interactions. Figure 2 shows three different channels in a minimal replicating system. Building blocks A and B can react via the bimolecular reaction pathway, to form the template molecule T. In the second pathway – binary complex formation – A and B bind together reversibly to

• , when there are virtually no template molecules in the mixture but only building blocks A and B, the bimolecular and binary complex pathways leading to the formation of T and Tinactive will be dominant. Clearly, the inactive template cannot lead to autocatalysis and therefore hinders the self

Co-solvation effect on the binding mode of the α-mangostin/β-cyclodextrin inclusion complex

• Chompoonut Rungnim,
• Sarunya Phunpee,
• Manaschai Kunaseth,
• Supawadee Namuangruk,
• Kanin Rungsardthong,
• Thanyada Rungrotmongkol and
• Uracha Ruktanonchai

Beilstein J. Org. Chem. 2015, 11, 2306–2317, doi:10.3762/bjoc.11.251

• solubility at all β-CD concentrations studied (0–10 mM). From the equilibrium constant calculation, the inclusion complex is still a binary complex (1:1), even in the presence of ethanol. The results from our theoretical study confirm that the binding mode is binary complex and the presence of ethanol as co

• -solvent enhances the solubility of α-MGS with some effects on the binding affinity with β-CD, depending on the concentration employed. Keywords: α-mangostin; β-cyclodextrin; binary complex; inclusion complex; Introduction Solubilization of otherwise poorly soluble drugs under physiological conditions to

• solubility in the presence of both co-solvent and CD was determined according to Equation 1: where [Dtot] is the total solubility of the drug, [D] is the concentration of the free drug, [DL] is the concentration of the binary complex, and [DLC] is the concentration of the ternary complex. According to

An overview of the synthetic routes to the best selling drugs containing 6-membered heterocycles

• Marcus Baumann and
• Ian R. Baxendale

Beilstein J. Org. Chem. 2013, 9, 2265–2319, doi:10.3762/bjoc.9.265

• protocol for resolving the racemate on large scale using (S)-BINOL was reported [88]. This method works via the co-crystal formation between (S)-BINOL and cis-(−)-lamivudine forming a binary complex which was characterised by single crystal X-ray crystallography. Raltegravir (3.18, Isentress), is another