Weiqiang Zhan

TL;DR: A novel small molecule, MSX-122, is developed that is a partial CXCR4 antagonist without mobilizing stem cells, which can be safer for long-term blockade of metastasis than other reported CX CR4 antagonists.

TL;DR: Molecular field topology analysis (MFTA), a 2D quantitative structure-activity relationship (QSAR) approach based on local molecular properties (Van der Waals radii, atomic charges, and local lipophilicity), applied to the 32 series suggests structural modifications to improve potency.

TL;DR: The total synthesis of hirsutellone B (1b) in its enantiomerically pure form is reported through a strategy that features a number of novel cascade sequences and chemoselective reactions.

TL;DR: Molecular field topology analysis (MFTA), a 2D QSAR approach based on local molecular properties (atomic charges, hydrogen-bonding capacity and local lipophilicity), applied to the anilide series suggests structural modifications to improve potency.

TL;DR: Compound 26 is the lead compound and exhibits subnanomolar potency in three in vitro assays including competitive binding, Matrigel invasion and Gα(i) cyclic adenosine monophosphate (cAMP) modulation signaling and demonstrates that dipyrimidine amines are unique CXCR4 antagonists with high potency and specificity.