01983nas a2200241   4500008004100000245015000041210006900191260001500260300001200275490000700287520120100294653001401495653002901509653001101538653002101549653001401570100002201584700001801606700002101624700002901645700003101674856003601705       2022                        eng d00aAn In Silico Study of Examining Bioactive Compounds from Azadirachta indica Juss. (Neem) as Potential Death Receptor 5 Inductor in Hepatoma Cells0 aIn Silico Study of Examining Bioactive Compounds from Azadiracht  cApril 2022  a343-3490 v143 a<p class="rtejustify">Hepatocellular carcinoma is a disease that occurs due to the uncontrolled growth of abnormal hepatocytes. While cancer cells will not die by itself, due to resistance to death receptors 5 (DR5)-mediated apoptosis. This study is aimed to investigate<em> Azadirachta indica</em> Juss. leaves compound, such as gedunin and nimbolide, in binding DR5 and stimulated the TNF-related apoptosis inducing ligand (TRAIL), native ligand binding to DR5, which has a role of pro-apoptotic by docking simulation. The ligand and protein preparations were done using Discovery Studio 2016 and Hex 8.0.0 for docking. Visualization was done using Discovery Studio 2016. The docking studies revealed that nimbolide has a lower binding energy with the DR5-TRAIL complex than gedunin. According to the findings, nimbolide is a more effective DR5-TRAIL binding inducer than gedunin and has a higher binding affinity for DR5-TRAIL. This interaction has the potential to significantly reduce DR5-TRAIL binding resistance. Nimbolide and gedunin can be considered as drugs that can sensitize TRAIL binding to DR5 and increase the activation of one of hepar cancers signaling apoptosis pathways.</p>
10aApoptosis10aAzadirachta indica Juss.10aCancer10aDeath receptor 510ain silico1 aRaissa, Ricadonna1 aSafitri, Anna1 aMasruri, Masruri1 aBeltran5, Ma, Asuncion G1 aAulanni’am, Aulanni’am  uhttps://phcogj.com/article/1773