6-Gingerol [5-hydroxy-1-(4-hydroxy-3-methoxyphenyl) decan-3-one], the bio-active ingredient of the popular Indian spice ginger (Zingiber officinale Roscoe), is well-known for its pharmacological and physiological actions. The potent antioxidant, antiemetic, antiulcer, antimicrobial, analgesic, hypoglycemic, antihypertensive, antihyperlipidemic, immunostimulant, anti-inflammatory, cardiotonic, and cancer prevention activities of 6-Gingerol has been investigated and explored. 6-Gingerol is a good candidate for the treatment of various cancers including prostrate, pancreatic, breast, skin, gastrointestinal, pulmonary, and renal cancer. In this study we report for the first time the molecular recognition of 6-Gingerol with calf thymus DNA (ctDNA) through experimental and molecular modeling techniques confirming a minor groove binding mode of 6-Gingerol with ctDNA. Fluorescence and UV–vis spectroscopic studies confirm the complex formation of 6-gingerol with ctDNA. The energetics and thermodynamics of the interaction of 6-Gingerol with ctDNA was explored by Isothermal Titration Calorimetry (ITC) and Differential Scanning Calorimetry (DSC). The ctDNA helix melting upon 6-Gingerol binding was examined by melting temperature T_m analysis. Further the electrophoretic mobility shift assay confirms a possible groove binding of 6-Gingerol with ctDNA. Molecular docking and Molecular dynamics (MD) studies provide a detailed understanding on the interaction of 6-Gingerol binding in the minor groove of DNA which supports experimental results.

6-姜酚[5-羟基-1-(4-羟基-3-甲氧基苯基)癸-3-酮]是流行的印度香料姜（ Zingiber officinale Roscoe）的生物活性成分，以其药理作用而闻名和生理行为。 6-姜酚的有效抗氧化、止吐、抗溃疡、抗菌、镇痛、降血糖、抗高血压、降高血脂、免疫刺激、抗炎、强心和癌症预防活性已被研究和探索。 6-姜酚是治疗各种癌症的良好候选者，包括前列腺癌、胰腺癌、乳腺癌、皮肤癌、胃肠道癌、肺癌和肾癌。在这项研究中，我们首次通过实验和分子建模技术报道了 6-Gingerol 与小牛胸腺 DNA (ctDNA) 的分子识别，证实了 6-Gingerol 与 ctDNA 的小沟结合模式。荧光和紫外可见光谱研究证实 6-姜酚与 ctDNA 形成复合物。通过等温滴定量热法 (ITC) 和差示扫描量热法 (DSC) 探索了 6-姜酚与 ctDNA 相互作用的能量学和热力学。通过解链温度 T _m分析检查 6-Gingerol 结合后 ctDNA 螺旋的解链。此外，电泳迁移率变动测定证实了 6-Gingerol 与 ctDNA 可能的凹槽结合。分子对接和分子动力学 (MD) 研究提供了对 DNA 小沟中 6-姜酚结合相互作用的详细了解，为实验结果提供了支持。