Results 221 to 230 of about 391,445 (298)

Discovery of a Plant Pictet–Spenglerase With R‐Stereoselectivity

Angewandte Chemie, EarlyView.
Strictosidine synthases (STRs) are plant Pictet–Spenglerases catalyzing the coupling of a secoiridoid with tryptamine. All previously characterized strictosidine synthases are strictly S‐selective. Here, we report the discovery of Epi‐STR, an R‐selective STR ortholog from the medicinal plant Pogonopus speciosus.
Clara Morweiser, Sarah Heinicke, Sarah E. O'Connor, Maite Colinas   +3 more
wiley   +2 more sources

Synthesis, antimicrobial evaluation, molecular docking, and drug-likeness assessment of novel phenothiazine chromene hybrid compounds. [PDF]

Sci Rep
Bayoumy NM, Fadda AA, Gaffer HE, Soliman NN.   +3 more
europepmc   +1 more source

Network pharmacology and molecular docking reveal mechanisms of amiodarone-induced pulmonary fibrosis. [PDF]

Sci Rep
Li H, Di R, Kong D.
europepmc   +1 more source

Identification of small molecule inhibitors targeting FGFR through molecular docking-based screening. [PDF]

Front Oncol
Hou W, Liu K, Wang P, Zheng K, Kong Q, Wang X, Zhao Q, Cheng L.   +7 more
europepmc   +1 more source

A Synergistic Inhibitor Development Strategy Against Human UDP‐Galactose‐4‐Epimerase

Angewandte Chemie International Edition, EarlyView.
The epimerase GalE is crucial for the biosynthesis of cancer‐relevant O‐GalNAc glycans. Here, we employ orthogonal, structurally enabled small molecule fragment screens to yield both covalent and non‐covalent inhibitors against GalE within no more than 22 elaborated compounds.
William M. Browne, Jonathan Pettinger, Teresa Weckwerth, Andrew Purkiss, Sing Hei Lok, Louisa Penicaut, Roksana Ogrodowicz, Raveena Prema, Simone Kunzelmann, Chloe Roustan, Ganka Bineva‐Todd, Saskia Pieters, Francesca Zappacosta, Alfred E. Doherty, Isobel Oram, Christelle Soudy, Robert Quinlan, Joanna Redmond, Svend Kjaer, David House, Stephane Mouilleron, Jacob T. Bush, Benjamin Schumann   +22 more
wiley   +1 more source

Immunomodulatory effects of QsCATH on macrophages: transcriptomic insights and molecular docking analysis. [PDF]

Sci Rep
Qiao F, Qian XY, Wu JL, Wang ZX, Feng YK, Chen J.   +5 more
europepmc   +1 more source

Mechanisms of hesperetin in alleviating diabetic nephropathy: Network pharmacology, molecular docking, and experimental validation. [PDF]

J Diabetes Investig
Guo Y, Zhang F, Jin Y, Zhu M, Kang Z.
europepmc   +1 more source

Experimental and molecular docking analyses of antibacterial activity in moroccan Rosmarinus officinalis essential oil. [PDF]

Sci Rep
Lahlou Y, Elorchi S, Dakir M, Salah M, Ezzouine N, Belfaiza M, Makroum K, Maissour A.   +7 more
europepmc   +1 more source