Design, synthesis, docking, dft, md simulation studies of a new nicotinamide-based derivative: in vitro anticancer and vegfr-2 inhibitory effects

HIGHLIGHTS

• who: Eslam B. Elkaeed and colleagues from the Department of Sciences, College of Pharmacy, AlMaarefa University, Riyadh , have published the research work: Design, Synthesis, Docking, DFT, MD Simulation Studies of a New Nicotinamide-Based Derivative: In Vitro Anticancer and VEGFR-2 Inhibitory Effects, in the Journal: Molecules 2022, 27, 4606. of /2022/
• how: In this work compound V was used as a lead compound to do chemical modification at three sites. VEGFR-2 Prohibition To confirm the mechanism of action of compound 10 as a VEGFR-2 inhibitor it was tested for its in-vitro . . .
  

   

  

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