Results 101 to 110 of about 4,245 (200)

Molecular docking and molecular dynamics simulation studies of inhibitor candidates against Anopheles gambiae 3-hydroxykynurenine transaminase and implications on vector control

Heliyon
Isoxazole and oxadiazole derivatives inhibiting 3-hydroxykynurenine transaminase (3HKT) are potential larvicidal candidates. This study aims to identify more suited potential inhibitors of Anopheles gambiae 3HKT (Ag3HKT) through molecular docking and ...
Eunice O. Adedeji, Olubanke O. Ogunlana, Gbolahan O. Oduselu, Rainer Koenig, Ezekiel Adebiyi, Opeyemi S. Soremekun, Segun Fatumo   +6 more
doaj   +1 more source

Pharmacophore modelling as useful tool in the lead compounds identification and optimization [PDF]

, 2012
The goal of computer-aided molecular design methods in modern medicinal chemistry is to reduce the overall cost and time associated to the discovery and development of a new drug by identifying the most promising candidates to focus the experimental ...
ALMERICO, Anna Maria, LAURIA, Antonino, MARTORANA, Annamaria, PANTANO, Licia, TUTONE, Marco   +4 more
core  

Solving the Puzzling Absolute Configuration Determination of a Flexible Molecule by Vibrational and Electronic Circular Dichroism Spectroscopies and DFT Calculations: The Case Study of a Chiral 2,2_-Dinitro-2,2_-biaziridine [PDF]

, 2010
The absolute configuration of a recently synthesized racemate of 2,2-dinitro-2,2-biaziridine (2a), a possible catalyst for asymmetric synthesis, has been determined by vibrational circular dichroism (VCD) spectroscopy in the mid-IR region and DFT ...
Abbate S., Ciogli A., Fioravanti S., Gasparrini F., Longhi G., Pellacani L., Rizzato E., Spinelli D., Tardella PA   +8 more
core  

Molecular Periphery Design Allows Control of the New Nitrofurans Antimicrobial Selectivity

Molecules
A series of 13 new 3-substituted 5-(5-nitro-2-furyl)-1,2,4-oxadiazoles was synthesized from different aminonitriles. All compounds were screened in the disc diffusion test at a 100 μg/mL concentration to determine the bacterial growth inhibition zone ...
Lyubov Vinogradova, Alexey Lukin, Kristina Komarova, Maxim Zhuravlev, Artem Fadeev, Mikhail Chudinov, Elizaveta Rogacheva, Lyudmila Kraeva, Maxim Gureev, Yuri Porozov, Marine Dogonadze, Tatiana Vinogradova   +11 more
doaj   +1 more source

3-Glucosylated 5-amino-1,2,4-oxadiazoles: synthesis and evaluation as glycogen phosphorylase inhibitors

Beilstein Journal of Organic Chemistry, 2015
Glycogen phosporylase (GP) is a promising target for the control of glycaemia. The design of inhibitors binding at the catalytic site has been accomplished through various families of glucose-based derivatives such as oxadiazoles.
Marion Donnier-Maréchal, David Goyard, Vincent Folliard, Tibor Docsa, Pal Gergely, Jean-Pierre Praly, Sébastien Vidal   +6 more
doaj   +1 more source

Discovery of 1,2,4-Oxadiazole Derivatives Containing Haloalkyl as Potential Acetylcholine Receptor Nematicides. [PDF]

Int J Mol Sci, 2023
Luo L, Ou Y, Zhang Q, Gan X.
europepmc   +1 more source

Design, synthesis, and biological evaluation of a novel series of 1,2,4-oxadiazole inhibitors of SLACK potassium channels: Identification of in vitro tool VU0935685. [PDF]

Bioorg Med Chem, 2023
Qunies AM, Spitznagel BD, Du Y, David Weaver C, Emmitte KA.   +4 more
europepmc   +1 more source

C-(2-Deoxy-D-arabino-hex-1-enopyranosyl)-oxadiazoles: synthesis of possible isomers and their evaluation as glycogen phosphorylase inhibitors [PDF]

, 2021
Bokor, Éva, Csupász, Tibor, Docsa, Tibor, Gergely, Pál, Somsák, László, Szennyes, Eszter, Tóth, Nóra   +6 more
core   +1 more source

3-(3-Azabicyclo[2, 2, 1]heptan-2-yl)-1,2,4-oxadiazoles as Novel Potent DPP-4 Inhibitors to Treat T2DM

Pharmaceuticals
Background: Type 2 diabetes mellitus (T2DM) is a prevalent metabolic disease with global implications, necessitating effective management strategies.
Tatiana V. Zinevich, Ivan O. Maslov, Olga G. Kirichenko, Sergey V. Shorshnev, Maxim A. Gureev, Fedor M. Dolgushin, Yuri B. Porozov, Vladimir M. Trukhan   +7 more
doaj   +1 more source

Modes of Action of a Novel c-MYC Inhibiting 1,2,4-Oxadiazole Derivative in Leukemia and Breast Cancer Cells. [PDF]

Molecules, 2023
Zhou M, Boulos JC, Omer EA, Klauck SM, Efferth T.   +4 more
europepmc   +1 more source