Research Paper Volume 14, Issue 13 pp 5478—5492
Computational study on novel natural compound inhibitor targeting IDH1_R132H
Figure 5. The 2D structures of the reference compounds and novel compounds selected from virtual screening by chemdraw. 3D structures of the reference compounds and novel compounds selected from virtual screening by DS 4.5. And Pharmacophore predictions using 3D-QSAR (Green represents hydrogen acceptor, and blue represents hydrophobic center and purple represents hydrogen donor). (A) ZINC000004098459 (B) ZINC000049872393 (C) Vorasidenib (D) Ivosidenib.