Computation‐Guided Design of a Stimulus‐Responsive Multienzyme Supramolecular Assembly
Sign Up to like & getrecommendations! Published in 2017 at "ChemBioChem"
DOI: 10.1002/cbic.201700425
Abstract: The construction of stimulus-responsive supramolecular complexes of metabolic pathway enzymes, inspired by natural multienzyme assemblies (metabolons), provides an attractive avenue for efficient and spatiotemporally controllable one-pot biotransformations. We have constructed a phosphorylation- and optically responsive… read more here.
Keywords: stimulus; guided design; computation guided; multienzyme ... See more keywords
Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element
Sign Up to like & getrecommendations! Published in 2018 at "European Journal of Medicinal Chemistry"
DOI: 10.1016/j.ejmech.2018.03.004
Abstract: Abstract There are currently no approved vaccines or small molecule therapeutics available for the prophylaxis or treatment of Middle East Respiratory Syndrome coronavirus (MERS-CoV) infections. MERS-CoV 3CL protease is essential for viral replication; consequently, it… read more here.
Keywords: guided design; structure guided; 3cl protease; mers cov ... See more keywords
Hot-spot guided design of macrocyclic inhibitors of the LSD1-CoREST1 interaction
Sign Up to like & getrecommendations! Published in 2019 at "Tetrahedron"
DOI: 10.1016/j.tet.2019.130685
Abstract: Abstract New modalities such as cyclic peptides are attractive structures to inhibit challenging targets. The interaction between LSD1 and CoREST1 is required for histone demethylation and represents an attractive therapeutic target. The large interaction surface… read more here.
Keywords: guided design; lsd1 corest1; interaction; hot spot ... See more keywords
Illuminating a Dark Kinase: Structure-Guided Design, Synthesis, and Evaluation of a Potent Nek1 Inhibitor and Its Effects on the Embryonic Zebrafish Pronephros.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of medicinal chemistry"
DOI: 10.1021/acs.jmedchem.0c02118
Abstract: NIMA-related kinase 1 (Nek1) has lately garnered attention for its widespread function in ciliogenesis, apoptosis, and the DNA-damage response. Despite its involvement in various diseases and its potential as a cancer drug target, no directed… read more here.
Keywords: nek1 inhibitor; kinase; guided design; structure guided ... See more keywords
Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Medicinal Chemistry"
DOI: 10.1021/acs.jmedchem.2c00224
Abstract: The worldwide impact of the ongoing COVID-19 pandemic on public health has made imperative the discovery and development of direct-acting antivirals aimed at targeting viral and/or host targets. SARS-CoV-2 3C-like protease (3CLpro) has emerged as… read more here.
Keywords: structure; guided design; like protease; design ... See more keywords
Structure-Guided Design of Halofuginone Derivatives as ATP-Aided Inhibitors Against Bacterial Prolyl-tRNA Synthetase.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of medicinal chemistry"
DOI: 10.1021/acs.jmedchem.2c01496
Abstract: Aminoacyl-tRNA synthetases (aaRSs) are promising antimicrobial targets due to their essential roles in protein translation, and expanding their inhibitory mechanisms will provide new opportunities for drug discovery. We report here that halofuginone (HF), an herb-derived… read more here.
Keywords: structure; guided design; prolyl trna; atp aided ... See more keywords
A Scan Obfuscation Guided Design-for-Security Approach for Sequential Circuits
Sign Up to like & getrecommendations! Published in 2020 at "IEEE Transactions on Circuits and Systems II: Express Briefs"
DOI: 10.1109/tcsii.2019.2915606
Abstract: Logic locking, a popular countermeasure against IP piracy and counterfeiting, has been a target of several attacks, especially Boolean satisfiability attacks. The state-of-the-art solutions against SAT attack struggle to meet a fundamental criterion of logic… read more here.
Keywords: sequential circuits; guided design; logic locking; obfuscation guided ... See more keywords
Structure-guided design of a high-affinity ligand for a riboswitch.
Sign Up to like & getrecommendations! Published in 2019 at "RNA"
DOI: 10.1261/rna.069567.118
Abstract: We have designed structure-based ligands for the guanidine-II riboswitch that bind with enhanced affinity, exploiting the twin binding sites created by loop-loop interaction. We synthesized diguanidine species, comprising two guanidino groups covalently connected by Cn… read more here.
Keywords: affinity; design high; guided design; structure guided ... See more keywords