Related Experiment Video
Updated: Apr 20, 2026

Genetically-encoded Molecular Probes to Study G Protein-coupled Receptors
Published on: September 13, 2013
Design and synthesis of Tröger's base ditopic receptors: host-guest interactions, a combined theoretical and
Manda Bhaskar Reddy1, Myadaraboina Shailaja, Alla Manjula
1Crop Protection Chemicals Division, CSIR-Indian Institute of Chemical Technology, Hyderabad, India. manjula@iict.res.in.
Abstract:
Two flexible Tröger's base ditopic receptors C4TB and C5TB incorporating monoaza crown ether were designed and synthesized for bisammonium ion complexation. A comprehensive study of host-guest interactions was established by (1)H NMR spectroscopy and DFT calculations. Bisammonium chloride (A1) with a shorter alkyl chain spacer showed the highest affinity for the receptors. M06-2X/cc-pVTZ calculations including the solvent effects on host-guest complexes were employed to explain and rationalize the experimental trends. The short N-H···O or N-H···N hydrogen-bond distances observed in the range of 1.71-1.98 Å indicate the existence of a strong charge assisted hydrogen bonding between the host and the guest. The unusual behaviour (higher binding constant) of A5 in (1)H NMR titration is traced to the conformational folding of the guest.
More Related Videos
05:08Application of I TASSER, trRosetta, UCSF Chimera, HADDOCK server, and HEX loria for De Novo and In Silico Design of Proteins
Published on: July 8, 2025
10:39Heterogeneous Removal of Water-Soluble Ruthenium Olefin Metathesis Catalyst from Aqueous Media Via Host-Guest Interaction
Published on: August 23, 2018
Related Concept Videos
Diels–Alder Reaction Forming Bridged Bicyclic Products: Stereochemistry
The Two-State Receptor Model
The binding affinity of a drug determines its interaction with...
[3,3] Sigmatropic Rearrangement of 1,5-Dienes: Cope Rearrangement
Drug-Receptor Interactions
Several parameters, such as the drug's affinity for its receptor and its efficacy, which is its ability to activate the receptor, determine the drug's effect on the tissue....
Diels–Alder Reaction: Characteristics of Dienophiles
Characteristics of Dienophiles
Generally, the best dienophiles are alkenes containing electron-withdrawing substituents such as carbonyl, nitrile, and nitro groups. The feasibility of a Diels–Alder reaction...
Woodward–Hoffmann Selection Rules and Microscopic Reversibility