Pitchai Daisy, Manikkam Rajalakshmi, V Sr Lilly, Singaram Revathi
PG & Research Department of Biotechnology & Bioinformatics, Holy Cross College, Tiruchirappalli, India.
Bioinformation. 2011;6(6):226-8. doi: 10.6026/97320630006226. Epub 2011 Jun 6.
Design of potential drug-like candidates for cancer is of interest in recent years. We used 60 compounds which are known to have the potential to down regulate Nuclear Factor kappaB (NFκB) for this study. The compounds were assessed for Lipinski's RO5 and ADMET properties. Allixin, anethole, capsaicin, linearol and syringic acid satisfied both Lipinski's RO5 and ADMET properties. These compounds showed strong molecular interaction with receptor GPCR55 indicating they have ability to block GPCR55. Thus, their role in anticellular proliferation and induction of apoptosis is implied.
近年来，设计潜在的癌症类药物候选物备受关注。在本研究中，我们使用了60种已知具有下调核因子κB（NFκB）潜力的化合物。对这些化合物进行了Lipinski's RO5和ADMET性质评估。蒜藜芦素、茴香脑、辣椒素、芳樟醇和丁香酸均满足Lipinski's RO5和ADMET性质。这些化合物与受体GPCR55表现出强烈的分子相互作用，表明它们有能力阻断GPCR55。因此，暗示了它们在抗细胞增殖和诱导细胞凋亡中的作用。
