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Macromol Biosci 2022 May 21:e2200103. Epub 2022 May 21.

Department of Biomedical Engineering, Northwestern University, Evanston, IL, 60208, USA.

3D printed hydrogel scaffolds functionalized with conductive polymers have demonstrated significant potential in regenerative applications for their structural tunability, physiochemical compatibility, and electroactivity. Controllably generating conductive hydrogels with fine features, however, has proven challenging. Here, we utilize micro-continuous liquid interface production (μCLIP) method to 3D print poly(2-hydroxyethyl methacrylate) (pHEMA) hydrogels. Read More

Angew Chem Int Ed Engl 2022 May 13. Epub 2022 May 13.

The Chinese University of Hong Kong, Department of Chemistry, SC G59, Department of Chemistry, The Chinese University of Hong Kong, 00000, Shatin, HONG KONG.

Liquid-liquid phase separation (LLPS) forms biomolecular condensates or coacervates in cells. Metabolic enzymes can form phase-separated subcellular compartments that enrich enzymes, co-factors, and substrates. Here, we report the construction of synthetic multienzyme condensates that catalyze the biosynthesis of a terpene, a-farnesene in the prokaryote E. Read More

Spectrochim Acta A Mol Biomol Spectrosc 2022 May 4;278:121310. Epub 2022 May 4.

Department of Chemistry, University of North Bengal, Raja Rammohunpur, Darjeeling, West Bengal 734013, India. Electronic address:

This report explores the reversible acidochromism of a benzoxazole-based scaffold (BPP), which is highly sensitive to the acid-base in the liquid and gas phases. With the addition of acid, the solution of BPP changes its color from yellow to pink fuchsia due to the transformation of its imine into quinonoid form. Colour change is completely reversible in the presence of the base, confirming the reversible acidochromic behavior of the present BPP system. Read More

mBio 2022 May 10:e0109922. Epub 2022 May 10.

Department of Molecular and Cellular Biochemistry, University of Kentuckygrid.266539.d, College of Medicine, Lexington, Kentucky, USA.

Human metapneumovirus (HMPV) inclusion bodies (IBs) are dynamic structures required for efficient viral replication and transcription. The minimum components needed to form IB-like structures in cells are the nucleoprotein (N) and the tetrameric phosphoprotein (P). HMPV P binds to the following two versions of the N protein in infected cells: N-terminal P residues interact with monomeric N (N) to maintain a pool of protein to encapsidate new RNA and C-terminal P residues interact with oligomeric, RNA-bound N (N-RNA). Read More

Acta Pharm Sin B 2022 Mar 30;12(3):1351-1362. Epub 2021 Sep 30.

School of Pharmaceutical Sciences, Hainan University, Haikou 570228, China.

Scaffold hopping refers to computer-aided screening for active compounds with different structures against the same receptor to enrich privileged scaffolds, which is a topic of high interest in organic and medicinal chemistry. However, most approaches cannot efficiently predict the potency level of candidates after scaffold hopping. Herein, we identified potent PDE5 inhibitors with a novel scaffold a free energy perturbation (FEP)-guided scaffold-hopping strategy, and FEP shows great advantages to precisely predict the theoretical binding potencies Δ between ligands and their target, which were more consistent with the experimental binding potencies Δ (the mean absolute deviations  < 2 kcal/mol) than those Δ or Δ predicted by the MM-PBSA or MM-GBSA method. Read More