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Discovery of highly potent, selective, and brain-penetrable leucine-rich repeat kinase 2 (LRRK2) small molecule inhibitors.
Effective incorporation of property and structure-based drug design guidelines into the molecular design process resulted in the discovery of small molecule inhibitors such as GNE-7915 and 19, which possess an ideal balance of LRRK2 cellular potency, broad kinase selectivity, metabolic stability, and brain penetration across multiple species. Expand
Napyradiomycin derivatives, produced by a marine-derived actinomycete, illustrate cytotoxicity by induction of apoptosis.
Using fluorescence-activated cell sorting (FACS) analysis, napyradiomycins 1-4 were observed to induce apoptosis in the colon adenocarcinoma cell line HCT-116, indicating the possibility of a specific biochemical target for this class of cytotoxins. Expand
Semiconducting lead-sulfur-organic network solids.
The reactions of Pb(OAc)2 with 1,2,4,5-benzenetetrathiol, 1,4-benzenedithiol, and benzenehexathiol in ethylenediamine yield bright yellow, orange-red, and brown results; [Pb3C6S6]n is a semiconductor. Expand
Germanium phthalocyanine, GePc, and the reduced complexes SiPc(pyridine)(2) and GePc(pyridine)(2) containing antiaromatic pi-electron circuits.
The 1H NMR spectrum of GePc(py)2 and nucleus-independent chemical shift (NICS) calculations on GeP c(NMe3)2 both show the presence of a strong paratropic ring current. Expand
Concerted proton-electron transfer in the oxidation of hydrogen-bonded phenols.
Three phenols with pendant, hydrogen-bonded bases (HOAr-B) have been oxidized in MeCN with various one-electron oxidants, among the first detailed analyses of CPET reactions where the proton and electron move to different sites. Expand
Synthesis, Luminescence Properties, and Explosives Sensing with 1,1-Tetraphenylsilole- and 1,1-Silafluorene-vinylene Polymers
The syntheses, spectroscopic characterizations, and fluorescence quenching efficiencies of polymers and copolymers containing tetraphenylsilole- or silafluorene-vinylene repeat units are reported.Expand
Back pocket flexibility provides group II p21-activated kinase (PAK) selectivity for type I 1/2 kinase inhibitors.
A concentration-dependent decrease in tumor cell migration and invasion in two triple-negative breast cancer cell lines was observed with compound 17.1, and a structure-based hypothesis and strategy for achieving selectivity over group I PAKs, and the broad kinome, based on unique flexibility of this lipophilic pocket is presented. Expand
Observation of redox-induced electron transfer and spin crossover for dinuclear cobalt and iron complexes with the 2,5-di-tert-butyl-3,6-dihydroxy-1,4-benzoquinonate bridging ligand.
These dinuclear compounds were characterized by X-ray crystallography, electrochemistry, magnetism, magnetisms, and EPR spectroscopy and show extended 1-D and/or 2-D supramolecular structures. Expand
Cell Active Hydroxylactam Inhibitors of Human Lactate Dehydrogenase with Oral Bioavailability in Mice.
A series of trisubstituted hydroxylactams was identified as potent enzymatic and cellular inhibitors of human lactate dehydrogenase A using structure-based design and physical property optimization, which led to a potent cell active molecule that also possessed good exposure when dosed orally to mice. Expand