Results 21 to 30 of about 8,201,019 (210)
Reconstructing enzyme evolution by protein engineering
FEBS Letters, EarlyView.Natural enzyme evolution can be retraced by protein engineering methods such as directed evolution, rational design, and ancestral sequence reconstruction. These approaches reveal how enzymes emerged from ligand‐binding scaffolds, developed varying substrate preferences, formed oligomeric complexes, adapted to environmental changes, and evolved novel ...
Lukas Drexler +2 more
wiley +1 more source
Conserved binding mode but diverse interfaces of MreC‐PBP2 interactions
FEBS Letters, EarlyView.The crystal structure of abMreC reveals a conserved two β‐barrel architecture and provides structural insights into its role within the bacterial elongasome. The abMreC–abPBP2 complex model identifies the molecular basis of MreC‐mediated PBP2 recognition, contributing to the regulation of peptidoglycan synthesis.
Hyunseok Jang +4 more
wiley +1 more source
Structure‐forward targeting of claudins with synthetic binders
FEBS Letters, EarlyView.Claudins form the paracellular barriers between epithelial and endothelial tissues at tight junctions and are targets for molecular binders with the goal of modulating barrier permeability. Claudin‐binding molecules are relevant in drug delivery or in altering claudin interactions with disease‐causing proteins.
Alex J. Vecchio
wiley +1 more source
3D Chemical Similarity Networks for Structure-Based Target Prediction and Scaffold Hopping [PDF]
, 2016 Target identification remains a major challenge for modern drug discovery programs aimed at understanding the molecular mechanisms of drugs. Computational target prediction approaches like 2D chemical similarity searches have been widely used but are ...
Robert Damoiseaux (326975) +11 more
core +1 more source
FEBS Letters, EarlyView.This review focuses on the role of autophagy and mitophagy in maintaining pancreatic β‐cell function and homeostasis. We discuss how genetic defects affecting these pathways contribute to the development of type 1, type 2, monogenic, and gestational diabetes. We further explore their potential as therapeutic targets. Created in BioRender.
Yunkyeong Lee +2 more
wiley +1 more source
, 2022 Chemical similarity of top 4 identified compounds with talazoparib. In 2D Graph similarity score, pink color highlights parts of the hit molecule that are dissimilar to the talazoparib, while “yellow to dark green” color gradient highlights the bonds ...
Abdelrahman Hamdi (13775248) +9 more
core +1 more source
Evolutionary-docking targeting bacterial FtsZ [PDF]
, 2023 To accurately predict binding of inhibitors to the FtsZ cell division protein of the antibiotic-resistance Staphilococcus aureus pathogen, evolutionary library docking, ligand-efficiency predictions and rank consensus docking strategies have been ...
julio, coll, julio coll
core +1 more source
Ligand‐dependent transcriptional heterogeneity in cell cycle gene expression delays G1/S entry
FEBS Letters, EarlyView.EGF and HRG induce distinct G1/S progression programs in ErbB2‐amplified BT474 breast cancer cells. Despite activating the potent ErbB2–ErbB3 heterodimer, HRG does not accelerate cell‐cycle entry. Instead, EGF promotes earlier restriction‐point passage via ERK–FOS signaling, whereas HRG activates the AKT–MYC axis, driving transcriptional heterogeneity ...
Ririn Rahmala Febri +5 more
wiley +1 more source
Similarity Continua and Criteria in Memetic Theory and Analysis [PDF]
, 2014 The aim of this article is to schematize and quantify certain of the similarity relationships which are relevant to the application of memetics to music, in order to sketch a methodology by which evolutionarily significant resemblances (particularly in ...
Jan, Steven
core
Study of Chemical Similarity Between Molecules Through a Comparative Method of Standard Thermodynamic Properties [PDF]
, 2018 Chemical similarity between molecules, is a key concept in drug design and drug discovery. The advance in computational science, had given rise to many new possibilities for understand difference and similarity between molecules.
Tetsafe, De Angeli +1 more
core +1 more source