Results 31 to 40 of about 10,809,308 (293)

A CDFT-Based Computational Peptidology (CDFT-CP) Study of the Chemical Reactivity and Bioactivity of the Marine-Derived Alternaramide Cyclopentadepsipeptide

open access: yesJournal of Chemistry, 2021
Alternaramide is a cyclic pentadepsipeptide isolated from marine sources that has been shown to present weak antibiotic activity against Bacillus subtilis and Staphylococcus aureus as well as inhibitory effects on inflammatory mediator expressions. Thus,
Norma Flores-Holguín   +2 more
doaj   +1 more source

Theoretical Reactivity Study of Indol-4-Ones and Their Correlation with Antifungal Activity

open access: yesMolecules, 2017
Chemical reactivity descriptors of indol-4-ones obtained via density functional theory (DFT) and hard–soft acid–base (HSAB) principle were calculated to prove their contribution in antifungal activity [...]
María de los Ángeles Zermeño-Macías   +4 more
doaj   +1 more source

Computational peptidology approach to the study of the chemical reactivity and bioactivity properties of Aspergillipeptide D, a cyclopentapeptide of marine origin

open access: yesScientific Reports, 2022
Aspergillipeptide D is a cyclic pentapeptide isolated from the marine gorgonian Melitodes squamata-derived fungus Aspergillus sp. SCSIO 41501 that it has been shown to present moderate activity against herpes virus simplex type 1 (HSV-1).
Norma Flores-Holguín   +2 more
doaj   +1 more source

A Computational Study of 1-Substituted Methyl 9-Methyl-9H-Pyrido[3,4- b]indole-3-Carboxylate: Quantum Chemical Descriptors, FMO and NBO Analysis

open access: yesCumhuriyet Science Journal, 2017
This work dealt with theinvestigation of the methyl 9H-pyrido[3,4-b]indole-3-carboxylate (Basiccompound) and its C1-substituted derivatives to search for the best substituentgroup that enhances the chemical reactivity behavior of the Basic compound ...
Mustafa Elik, Goncagül Serdaroğlu
doaj   +1 more source

Microbiome−host proteostasis crosstalk—An emerging perspective on mechanisms and interventions toward healthy longevity

open access: yesFEBS Letters, EarlyView.
Proteostasis and the gut microbiota play a key role in shaping host physiology. Microbiota‐derived metabolites, vitamins, and RNA modulate host proteostasis. Findings from model systems, including C. elegans, indicate microbes can either stabilize or disrupt host proteostasis.
Abhishek Anil Dubey, Maria Ermolaeva
wiley   +1 more source

Introduction to Chemical Reactivity

open access: yes, 2023
[No abstract ...
von Szentpály, László, Kaya, Savaş
core   +2 more sources

Comparisons Between Tridentate Bis(benzazoles)-pyridine and Bis(benzazoles)triazine Ligands: a Theoretical Study

open access: yesCroatica Chemica Acta, 2015
Twelve bis(benzazole) structures with potential ligand character were investigated by means of computational chemistry. Global and local reactivity descriptors within DFT (Density Functional Theory) theory (Fukui functions, chemical potential, hardness ...
Mihaiela Andoni   +6 more
doaj   +1 more source

Enrolling reactive oxygen species in photon-to-chemical energy conversion: fundamentals, technological advances, and applications

open access: yesAdvances in Physics: X, 2021
In theory, oxygen (O2) is an ideal chemical reagent because of its high relative abundance and negligible environmental toxicity. In practice however, by the nature of its ground state electronic configuration, many chemical reactions involving O2 are ...
Irving D. Rettig, Theresa M. McCormick
doaj   +1 more source

ABL kinase‐dependent phosphorylation of SH proteins promotes their direct interaction with CRK family SH2 domains

open access: yesFEBS Letters, EarlyView.
CT10 regulator of kinase (CRK) and CRK‐Like (CRKL) are signaling adaptors driving cell adhesion, motility, differentiation, and proliferation. SH2‐domain containing (SH) proteins are enriched in YXXP motifs which when phosphorylated create preferred binding sites for CRK family SH2 domains.
Phoebe M. Cousens   +8 more
wiley   +1 more source

Chemical reactivity and thermal stability of nanometric alkali metal hydrides

open access: yes, 2006
The chemical reactivities of nano-NaH particles were compared with those of the commercial ones in three test reactions. Large specific surface areas of these nanoparticles are the main factor for their extremely high reactivity in comparison with their ...
Liao, Shijian   +5 more
core   +1 more source

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