Results 171 to 180 of about 78,399 (204)

Unveiling the potential biochemical effects of selected heterocyclic compounds as human Type-A γ-aminobutyric acid (GABA A) Modulator: An <i>Insilico</i> Approach. [PDF]

Biotechnol Rep (Amst)
Oyebamiji AK, Akintelu SA, Ebenezer O, Olujinmi FE, Adekunle DO, Olanrewaju AA, Akinola OT, Afolabi SO, Erazua EA, Olaseinde AA.   +9 more
europepmc   +1 more source

Thinking Outside the Binding Site: A Self‐Encapsulating Kinase Inhibitor Remodels Its Pocket to Achieve Selectivity

Angewandte Chemie International Edition, EarlyView.
To make exceptionally effective drugs, thinking “outside the binding site” is required. This work reveals that counterintuitive targeting of a kinase‐conserved region can lead to highly selective binding. Inhibitor discovery coupled to x‐ray crystallography shows that a network of noncanonical interactions and long‐range effects of distant unique amino
Nico J. Seidler, Monica R. MacDonald, Athina A. Moschopoulou, Sahba Cunningham, Tess M. Weber, Nader N. Nasief, Lorenz Mayer, Frederik W. Hacker, Ekaterina Hermann, Mareike B. Möllers, Yuliia Skliarenko, Tahereh Damghani, Abid N. Manzar, Kaly S. Lin, Ramona Rudalska, Marcia I. Goettert, Lars Zender, Daniel Dauch, Michael Forster, Stefan A. Laufer, David E. Heppner   +20 more
wiley   +1 more source

Dataset on effect of cadmium and lead on chemical reactivity of selected heterocyclic compounds as potential dipeptidyl peptidase III inhibitors using <i>insilico</i> method. [PDF]

Data Brief
Bolaji KA, Oyebamiji AK, Olutona GO.
europepmc   +1 more source

Ultrasonic-assisted synthesis and antitumor evaluation of novel variant heterocyclic compounds based on piperidine ring. [PDF]

Future Med Chem
Aboelnaga A, Ebead EE, Nassar E, Naguib MM, Ismail MF.   +4 more
europepmc   +1 more source

New Nitrogen-, Oxygen-, and Sulfur-Containing Heterocyclic Compounds as Anti-Colon Cancer Agents: Synthesis, Multitargeted Evaluations, Molecular Docking Simulations and ADMET Predictions. [PDF]

Pharmaceuticals (Basel)
El-Sayed NNE, Krayem N, Derbala HA, Kamal S, Bukhari SNA, El-Ashrey MK, Almarhoon ZM, Soliman Alterary S, Ben Bacha A.   +8 more
europepmc   +1 more source

An Ultrahigh-Performance Liquid Chromatography Coupled with Tandem Mass Spectrometry (UHPLC-MS/MS) Method for Toxicity and Safety Level Assessment of Oxygen Heterocyclic Compounds and Terpene in Cold-Pressed Grapefruit Essential Oils. [PDF]

ACS Omega
Zahiruddin S, Wang YH, Kothapalli HB, Avula B, Chittiboyina AG, Khan IA.   +5 more
europepmc   +1 more source

Activation of Metal Complexes With Ultrasound Waves for Targeted Anticancer Therapy

Angewandte Chemie International Edition, EarlyView.
Ultrasound enables non‐invasive activation of metal‐based therapeutics deep within tumors. Acoustic cavitation can drive sonodynamic reactive oxygen species generation or mechanochemical metal–ligand bond dissociation, enabling controlled release of bioactive payloads.
Félix Grosjean, Nicolás Montesdeoca, Gilles Berger, Johannes Karges   +3 more
wiley   +1 more source

Deprotective Alkylation: A Platform for Alcohol‐to‐Amine Interconversion Using Nonafluoromesitylenesulfonamides

Angewandte Chemie International Edition, EarlyView.
The straightforward conversion of alcohols to tertiary or secondary amines employing Nms‐amides in a single operation is described. The transformation features broad functional group tolerance and high stereospecificity, underscoring its utility in the synthesis of isotope‐labeled pharmaceuticals.
Jakub Brześkiewicz, Kunj Kapur, Boris Maryasin, Nuno Maulide   +3 more
wiley   +1 more source

A Ruthenium(CAAC‐5) Olefin Metathesis Catalyst for Bioconjugation

Angewandte Chemie International Edition, EarlyView.
The aqueous instability of ruthenium catalysts restricts olefin metathesis in biological media. A Ru(CAAC‐5) complex bearing an aniline handle is reported that remains active under biologically relevant conditions and enables bioconjugation to proteins, peptides, and an artificial metalloenzyme, providing a robust platform for olefin metathesis in ...
Damian Alexander Graf, Mikhail Boym, María Álvarez, Tsvetan Kardashliev, Thomas R. Ward   +4 more
wiley   +1 more source

In silico and in vitro prediction of new synthesized N-heterocyclic compounds as anti-SARS-CoV-2. [PDF]

Sci Rep
Hashem HE, Ahmad S, Kumer A, Bakri YE.
europepmc   +1 more source