Results 201 to 210 of about 14,157 (254)

Synthesis, Characterization, and Multifaceted Biological Applications of Novel Binuclear Mn(II), Fe(III), and Co(II) Malonohydrazone Schiff-Base Complexes. [PDF]

ACS Omega
Al-Hajooj AH, Mohammed MA, Youssef MM, Abu El-Reash GM.   +3 more
europepmc   +1 more source

Evaluating Machine Learning Affinity Prediction Methods on Novel Lead Optimization Data: A 15‐PGDH Case Study

ChemMedChem, Volume 21, Issue 20, 28 October 2026.
Machine‐learning‐based protein–ligand affinity prediction has the potential to meaningfully impact drug discovery given their speed relative to traditional physics‐based methods. This case study considers recently disclosed inhibitors of 15‐hydroxyprostaglandin dehydrogenase and highlights the fragility of the domain of applicability of two methods ...
Alexander S. Rich, Leela S. Dodda, Daniel J. Price   +2 more
wiley   +1 more source

Synthesis, Anticancer Evaluation, mRNA Expression Analysis, and Molecular Docking of Fluorinated Picolinamide-Benzothiazole Derivatives Against Breast Cancer-Related Genes CDK2, ERK2, and BCL2. [PDF]

J Biochem Mol Toxicol
Vadabingi N, Mallepogu V, Pothuraju S, Pasala C, Poreddy S, Amineni UM, Cirandur SR, Meriga B.   +7 more
europepmc   +1 more source

How Can the Latent Heat Entrainment Flux in the Convective Boundary Layer be Characterized?

Journal of Geophysical Research: Atmospheres, Volume 131, Issue 20, 28 October 2026.
Abstract A proposed theoretical description of the latent heat entrainment flux at the top of a convective boundary layer (CBL) was tested. It is related to the vertical velocity scale times the ratio of the water vapor mixing ratio (WVMR) gradient to the Brunt‐Väisälä frequency. This relation was tested with different LiDAR and radiosonde measurements.
Linus von Klitzing, David D. Turner, Diego Lange, Christoph Senff, Volker Wulfmeyer   +4 more
wiley   +1 more source

Docking-Based Virtual Screening Identifies a Small-Molecule Inhibitor of the Translesion Synthesis REV7/REV3 Protein-Protein Interaction. [PDF]

ChemMedChem
Harrahill NJ, Patel SM, Dash RC, Zaino AM, Gupta V, Geddes-Buehre DH, Brereton C, Rizzo AA, Chatterjee N, Korzhnev DM, Hadden MK.   +10 more
europepmc   +1 more source

Synthesis, Moleculer Modeling, and Carbonic Anhydrase Inhibitor Effects of Novel 1‐(1‐benzyl‐2‐oxoindolin‐3‐ylidene)‐4‐(3‐sulfamoylphenyl)thiosemicarbazides

ChemMedChem, Volume 21, Issue 19, 14 October 2026.
Novel 1‐(1‐benzyl‐2‐oxoindolin‐3‐ylidene)thiosemicarbazides (6a–l) bearing a 3‐sulfamoylphenyl moiety selectively inhibited the tumor‐associated hCA IX and XII isoforms over hCA I and II isoforms at the nanomolar levels. Compounds 6k and 6f emerged as the most potent inhibitors of hCA IX and XII, respectively.
Çağla Begüm Apaydın, Tuğçe Cinek, Hayrunnisa Nadaroğlu, Nilgün Karalı   +3 more
wiley   +1 more source

Bend and Snap: Computationally Exploring the Helix Bias for Classifying Abl Kinase Allosteric Modulators. [PDF]

J Chem Inf Model
Leite PTTF, Fernandes PO, Martins DM, Almeida RL, Pöhner I, Moraes AH, Kronenberger T, Maltarollo VG.   +7 more
europepmc   +1 more source

Stress-Assisted Amorphization and Dislocation-Mediated Plasticity in Silicon near Its Melting Point: A Molecular Dynamics Study. [PDF]

Materials (Basel)
Chang Z, Zhang Y, Xiao Z, Cheng M, Chen Z, Hou C.   +5 more
europepmc   +1 more source