N. Vaidehi

Cellular Lipids Regulate the Conformational Ensembles of the Disordered Intracellular Loop 3 in beta-2 Adrenergic Receptor

This study shows that lipids like PIP2 and GM3 modulate the conformation of ICL3 in beta-2AR, affecting G protein coupling through membrane tilting and allosteric effects.

Bayesian network models identify co-operative GPCR:G protein interactions that contribute to G protein coupling

This study uses Bayesian network modeling to identify cooperative GPCR:G protein interactions and their allosteric effects, revealing subnetworks that contribute to G protein coupling selectivity.

Oligo-PROTAC strategy for cell-selective and targeted degradation of activated STAT3

This paper develops a PROTAC-based strategy to selectively degrade activated STAT3 in specific cell types, showing efficacy in reducing STAT3 levels and tumor growth in lymphoma models.

Stablization of Interdomain Interactions in G protein αi Subunits Determines Gαi Subtype Signaling Specificity

This study identifies an amino acid difference that stabilizes interdomain interactions in Gi1 but not Gi2, leading to differences in effector activation and signaling specificity.

Structural basis of odorant recognition by a human odorant receptor

The paper determines the structure of a human odorant receptor bound to propionate, revealing how odorant recognition and activation occur through specific molecular interactions.

Decoding Angiotensin II Type 1 Receptor Allosteric Communication to Gq and β-arrestin

This study identifies residue networks mediating allosteric communication from the Ang II binding site to Gq and β-arrestin2 coupling sites in AT1R, revealing shared and distinct residues that could guide biased ligand design.

A Universal Allosteric Mechanism for G Protein Activation

This paper identifies a conserved Gly-Arg-Glu motif that mediates G protein subunit dissociation through an allosteric mechanism, and shows that mutations in this motif cause human diseases.

Activation microswitches in GPCRs function as rheostats in cell membrane

This study uses molecular dynamics simulations to show that GPCR activation in cell membranes involves microswitches and is regulated by PIP2 and calcium ions, differing from detergent environments.

GPCRmd uncovers the dynamics of the 3D-GPCRome

GPCRmd provides an online platform for visualizing and analyzing GPCR molecular dynamics simulations, demonstrating its utility through analyses of internal water networks and sodium ion interactions.

Structural instability and divergence from conserved residues underlie intracellular retention of mammalian odorant receptors

This study identifies structural instability and divergence from conserved residues as causes of intracellular retention of odorant receptors, using computational and experimental methods.

Generation of dual specific bivalent BiTEs (dbBIspecific T-cell Engaging antibodies) for cellular immunotherapy

This paper describes the generation of dual-specific bivalent BiTES for cancer immunotherapy, showing they maintain tumor targeting and kill CEA+ cells in vitro and in vivo.

Machine Learning for Prioritization of Thermostabilizing Mutations for G-protein Coupled Receptors

The paper develops a machine learning framework to predict thermostable mutations for GPCRs, achieving higher success rates than systematic alanine scanning.