The molecular mechanisms by which bone cells transduce mechanical stimuli into intracellular biochemical responses have yet to be established. There is evidence that mechanical stimulation acts synergistically with parathyroid hormone PTH(1-34) in mediating bone growth. Using picosecond time-resolved fluorescence microscopy and G protein-coupled receptor conformation-sensitive fluorescence reso...

Objectives: The bioactive phytocompounds present in Zingiber officinale were assessed for their tumor-suppressing activity against TP-53 BP1 linked to hepatocellular carcinoma. Methods: study investigates the interaction of phytochemicals from Ginger (Zingiber officinale) with tumor protein TP53. Drug likeness chosen ligand was evaluated using SWISS ADME. Autodock tools used investigate interac...

In this work we use transition network analysis for the first time to investigate ligand migration in truncated hemoglobin (trHbN) and obtain kinetic information about the docking-site dynamics in the protein. A comparison with explicit water molecular dynamics simulations (100 ns in total) shows that the rate constants derived from the network analysis are realistic. The transition network ana...

Herein, we report a ruthenium‐catalyzed ketone directed ortho‐arylation wherein the addition of bidentate NC‐type ligand, most effectively 2‐(o‐tolyl) pyridine, significantly enhances C‐H arylation reaction. Various aryl‐alkyl ketones, including cyclic, aliphatic, and heterocyclic ones, are competent substrates, arylboronic acid esters were used as aryl sources. However, substitution with OMe C...

The bromodomain adjacent to zinc finger domain protein 2A (BAZ2A) is implicated in aggressive prostate cancer. The BAZ2A bromodomain is a challenging target because of the shallow pocket of its natural ligand, the acetylated side chain of lysine. Here, we report the successful screening of a library of nearly 1500 small molecules by high-throughput docking and force field-based binding-energy e...