Results 11 to 20 of about 2,042 (119)

Thiocarbamoylimidates as Precursors of New 5-Amino-1,2,4-Triazole and Oxadiazole Derivatives In Silico Prediction of Absorption, Distribution, Metabolism, and Excretion Parameters. [PDF]

Chempluschem
1,2,4‐triazole and oxadiazole motifs are synthesized from thiocarbamoylimidates precursors, under mild conditions (40 °C) in the environmentally friendly water/ethanol reaction medium. The reaction is highly versatile and allows for the introduction of a wide variety of functional groups.
Gatri O, Roisnel T, Cordier M, Dorcet V, Efrit ML, Fischmeister C.   +5 more
europepmc   +2 more sources

Phytochemical and Bioactivity Profiling of Unconventional Food Plant, <i>Boehmeria caudata</i> Leaves: FT-IR, GC-MS, Experimental, and In Silico Investigation. [PDF]

Food Sci Nutr
In this paper, we have investigated the in vitro antioxidant as well as in vivo analgesic, anxiolytic, and antidepressant activities of the methanolic extract of Boehmeria caudata leaves, alongside a phytochemical evaluation using FT‐IR and GC‐MS analysis.
Ali ML, Jaber MA, Hasan Z, Proma NM, Hoque N, Tipu MTR, Ahamed KU, Akter B, Khanam BH, Hossain MK.   +9 more
europepmc   +2 more sources

Insights on Regioselective Synthesis of Fused Thiazoles: Density Functional Theory Calculations, Local Reactivity Indices, and Molecular Electrostatic Potential Analysis. [PDF]

ChemistryOpen
A regioselective synthesis of fused thiazoles was achieved via aza‐Michael cyclization of thiazolidinone derivatives with hydrazines or heteroaryl amines. Density functional theory, local reactivity indices, and molecular electrostatic potential mapping are used to explain selectivity.
Al-Hazmi GH, Al-Humaidi JY, Riyadh SM, Ahmed MSM, Zaki MEA, Alruwaili AH, Alanazi KA, Almutairi RH, Gomha SM.   +8 more
europepmc   +2 more sources

Synthesis and Biological Assessment of Cyanopyridine-Based 1,3,4-Oxadiazole Derivatives: Anticancer Potential, Antioxidant Activity, Molecular Docking, and DFT Calculations. [PDF]

J Biochem Mol Toxicol
A series of novel cyanopyridine‐based 1,3,4‐oxadiazole derivatives were synthesized, and their anticancer activities against the MCF‐7 and CaCo‐2 cancer cell lines, as well as their antioxidant capacities, were evaluated under In Vitro conditions. Furthermore, computational studies utilizing Density Functional Theory (DFT) and molecular modeling were ...
Zebbiche Z, Şekerci G, Houssem B, Küçükbay F, Tekin S, Küçükbay H, Boumoud B.   +6 more
europepmc   +2 more sources

Hyperpolarization Modulation of the T-Type hCa_v3.2 Channel by Human Synenkephalin [1-53], a Shrew Neurotoxin Analogue without Paralytic Effects. [PDF]

Angew Chem Int Ed Engl
Human synenkephalin [1–53] (hSYN), an analogue peptide of shrew saliva neurotoxins, was synthesized and its structural characteristics studied. Synthetic hSYN potently activated the T‐type voltage‐gated Ca channel hCav3.2 but did not paralyze mealworms. These findings offer new insight into neurological disorder treatment and evolutionary mechanisms of
Fukuoka R, Yano Y, Hara N, Sadamoto C, Maturana AD, Kita M.   +5 more
europepmc   +2 more sources

Predictive, Data‐Driven Design of Red‐Light Photoredox Catalysts for C─Heteroatom Bond Formation

Angewandte Chemie International Edition, EarlyView.
From redox numbers to red light: Donor oxidation and core reduction potentials predict E0‐0 in cyanoarene dyes, guiding selection of an efficient red‐light catalyst, 4MeODPATPN (PC13). Under 620 nm light, PC13 facilitates Ni‐catalyzed C─heteroatom cross‐couplings (C─N, C─O, C─S) with high functional‐group tolerance and reduced hydrodehalogenation ...
Amir Gizatullin, Tingting Yuan, Sascha Grotjahn, Luigi Cavallo, Burkhard König, Chen Zhu, Magnus Rueping   +6 more
wiley   +1 more source

2-Pyrazoline derivatives in neuropharmacology [PDF]

A novel series of 1,3,5-trisubstituted-2-pyrazoline derivatives (PFC-1 to PFC-16) were synthesized in a three step reaction using conventional and microwave assisted green chemistry approach.
Paliwal, Sarvesh, Saraf, Shailendra K., Tripathi, Avinash C., Upadhyay, Savita   +3 more
core   +1 more source

The prescriber's guide to classic MAO-inhibitors (phenelzine, tranylcypromine, isocarboxazid) for treatment-resistant depression [PDF]

, 2022
This article is a clinical guide which discusses the state-of-the-art usage of the classic monoamine oxidase inhibitor (MAOI) antidepressants (phenelzine, tranylcypromine, and isocarboxazid) in modern psychiatric practice. The guide is for all clinicians,
Abdelmoemin, Wegdan R., Abraham, Magid M., Amsterdam, Jay D., Anderson, Ian M., Andrade, Chittaranjan, Baker, Glen B., Beekman, Aartjan T.F., Berk, Michael, Birkenhäger, Tom K., Blackwell, Barry B., Blier, Pierre, Blom, Marc B.J., Bodkin, J. Alexander, Cattaneo, Carlo Ignazio, Dantz, Bezalel, Davidson, Jonathan, Dunlop, Boadie W., Estévez, Ryan F., Feinberg, S. Shalom, Finberg, John P.M., Fochtmann, Laura J., Gillman, Peter Kenneth, Gotlib, David, Holt, Andrew, Insel, Thomas R., Larsen, Jens Knud, Mago, Rajnish, Menkes, David B., Meyer, Jonathan M., Nutt, David J., Parker, Gordon, Rego, Mark D., Richelson, Elliott, Ruhé, Henricus G., Stahl, Stephen M., Steele, Thomas, Sáiz-Ruiz, Jerónimo, Thase, Michael E., Ulrich, Sven, Van Balkom, Anton J.L.M., Van Den Eynde, Vincent, Vieta, Eduard, Whyte, Ian, Young, Allan H.   +43 more
core   +4 more sources

Recent Advances in Bioconjugation of Aromatic Amino Acid Residues by a Reactivity‐Guided Approach

The Chemical Record, EarlyView.
This review highlights recent advances in the bioconjugation of aromatic amino acids residues, focusing on strategies that leverage their inherent chemical reactivity to enable precise and versatile modifications of biomacromolecules, illustrating relevant applications.
Bruno M. da S. Santos, Lívia C. R. M. da Frota, Thais G. Silva, Fernanda G. Finelli   +3 more
wiley   +1 more source

Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach [PDF]

, 2014
The bacterial sliding clamp (SC), also known as the DNA polymerase III β subunit, is an emerging antibacterial target that plays a central role in DNA replication, serving as a protein-protein interaction hub with a common binding pocket to recognize ...
Beck, JL, Dixon, NE, Harry, EJ, Jergic, S, Kelso, MJ, Liu, M, Oakley, AJ, Wang, Y, Whittell, LR, Yin, Z   +9 more
core   +3 more sources