Protonation states of Asp residues in the human Nudix hydrolase MTH1 contribute to its broad substrate recognition.
Sign Up to like & getrecommendations! Published in 2023 at "FEBS letters"
DOI: 10.1002/1873-3468.14611
Abstract: Human MutT homolog 1 (MTH1), also known as Nudix type motif 1 (NUDT1), hydrolyzes 8-oxo-dGTP and 2-oxo-dATP with broad substrate recognition and has attracted attention in anti-cancer therapeutics. Previous studies on MTH1 have proposed that… read more here.
Keywords: recognition; mth1; protonation; broad substrate ... See more keywords
Effects of the Protonation State of Titratable Residues and the Presence of Water Molecules on Nocodazole Binding to β‐Tubulin
Sign Up to like & getrecommendations! Published in 2018 at "ChemMedChem"
DOI: 10.1002/cmdc.201700530
Abstract: Regulation of microtubule assembly by antimitotic agents is a potential therapeutic strategy for the treatment of cancer, parasite infections, and neurodegenerative diseases. One of these agents is nocodazole (NZ), which inhibits microtubule polymerization by binding… read more here.
Keywords: state; water molecules; binding tubulin; protonation ... See more keywords
Linker Independent Regioselective Protonation Triggered Detoxification of Sulfur Mustards with Smart Porous Organic Photopolymer.
Sign Up to like & getrecommendations! Published in 2023 at "Small"
DOI: 10.1002/smll.202302045
Abstract: The development of efficient metal-free photocatalysts for the generation of reactive oxygen species (ROS) for sulfur mustard (HD) decontamination can play a vital role against the stockpiling of chemical warfare agents (CWAs). Herein, one novel… read more here.
Keywords: detoxification; regioselective protonation; protonation; independent regioselective ... See more keywords
Purine tautomeric preferences and bond-length alternation in relation with protonation-deprotonation and alkali metal cationization
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-020-4343-6
Abstract: Quantum chemical calculations were carried out for deprotonated ( P − ) and protonated purine ( PH + ) and for adducts with one alkali metal cation ( P − M + and PM +… read more here.
Keywords: alkali metal; protonation; cationization; protonation deprotonation ... See more keywords
Standard state free energies, not pKas, are ideal for describing small molecule protonation and tautomeric states
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Computer-Aided Molecular Design"
DOI: 10.1007/s10822-020-00280-7
Abstract: The pKa is the standard measure used to describe the aqueous proton affinity of a compound, indicating the proton concentration (pH) at which two protonation states (e.g. A− and AH) have equal free energy. However,… read more here.
Keywords: molecule; free energies; tautomeric states; protonation ... See more keywords
New DTPA-derived bis-naphthalenophanes: fluorescence, protonation, and complexation with aromatic amines
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Inclusion Phenomena and Macrocyclic Chemistry"
DOI: 10.1007/s10847-017-0742-4
Abstract: Two fluorescent, water-soluble bis-naphthalenophane isomers with six carboxylate arms, abbreviated as (bis-dtpa14nap)H6 and (bis-dtpa15nap)H6, were synthesized, which consist of two 1,4- or 1,5-substituted naphthalene rings interlinked by two diethylenetriaminepentaacetic (DTPA) chains through amide-linkages. Both DTPA-based… read more here.
Keywords: derived bis; dtpa derived; bis naphthalenophanes; new dtpa ... See more keywords
Thermodynamic Study on the Protonation and Na+, Ca2+, Mg2+-Complexation of a Biodegradable Chelant (HEIDA) at Different Ionic Strengths and Temperatures
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Solution Chemistry"
DOI: 10.1007/s10953-018-0734-z
Abstract: A potentiometric method has been used for the determination of the protonation constants of N-(2-hydroxyethyl)iminodiacetic acid (HEIDA or L) at various temperatures 283.15 ≤ T/K ≤ 383.15 and different ionic strengths of NaCl(aq), 0.12 ≤ I/mol·kg−1 ≤ 4.84. Ionic strength dependence parameters were… read more here.
Keywords: log; ca2 mg2; different ionic; protonation ... See more keywords
Protonation-State-Dependent Communication in Cytochrome c Oxidase.
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DOI: 10.1016/j.bpj.2017.07.005
Abstract: Proton transfer in cytochrome c oxidase from the cellular inside to the binuclear redox center (BNC) can occur through two distinct pathways, the D- and K-channels. For the protein to function as both a redox… read more here.
Keywords: communication; proton; protonation state; channel ... See more keywords
Simulations of Kindlin-2 PIP Binding Domains Reveal Protonation-Dependent Membrane Binding Modes.
Sign Up to like & getrecommendations! Published in 2021 at "Biophysical journal"
DOI: 10.1016/j.bpj.2021.11.021
Abstract: Kindlin-2, a member of the Kindlin family of peripheral membrane proteins, is important for integrin activation and stabilization of epidermal growth factor receptor. It associates with the cytoplasmic face of the plasma membrane via dedicated… read more here.
Keywords: phosphatidylinositol; binding domains; membrane binding; protonation ... See more keywords
Nonlinear optical absorption and optical limiting studies of fluorinated pyridyl porphyrins in chlorobenzene: An insight into the photo-induced protonation effects
Sign Up to like & getrecommendations! Published in 2019 at "Dyes and Pigments"
DOI: 10.1016/j.dyepig.2019.05.012
Abstract: Abstract We report the nonlinear optical absorption and optical limiting studies of 5,15-di(pyridyl)-10,20- bis(pentafluorophenyl)porphyrin and its metal complexes with Cu(II) and Zn(II) in chlorobenzene under nanosecond regime. All the samples were found to exhibit significant… read more here.
Keywords: optical absorption; optical limiting; protonation; nonlinear optical ... See more keywords
Spectral manifestation of protonation of photochromic naphthopyrans
Sign Up to like & getrecommendations! Published in 2021 at "Dyes and Pigments"
DOI: 10.1016/j.dyepig.2020.108833
Abstract: Abstract The formation of proton complexes of the photoinduced colored open form of naphthopyrans in solutions was first discovered and investigated by spectral-kinetic method. The complexes exhibit a new absorption band in the visible region,… read more here.
Keywords: spectral manifestation; protonation photochromic; absorption band; photochromic naphthopyrans ... See more keywords