Despite burgeoned knowledge about the origin, growth, tissue interactions, and spread of cancer in recent years, the functional complexity and unique survival ability of cancer cells still make it difficult to target them. Riviciclib is a semi-synthetic derivative of rohitukine and possesses anticancer potential. Inhibition of nucleic acid activity in an uncontrolled dividing cell can form the basis for the development of new-age cancer therapeutics. The present study reports the molecular interaction between riviciclib and nucleic acid (DNA/tRNA) using spectroscopic and molecular docking studies in an attempt to comprehend its cellular toxicity as well as the nature and mode of binding between them. Vibrational spectroscopic results suggest that riviciclib intercalates DNA duplex and primarily binds with guanine, adenine, and thymine nucleobases. While in the case of riviciclib-tRNA complexation, riviciclib interacts mostly with uracil residues of the tRNA molecule. Besides nucleobases, riviciclib interacts with the sugar-phosphate backbone of both biomacromolecules. Conformationally, DNA alters from B-form to C-form, whereas tRNA shows no change in its native A-form. The order (10⁴ M⁻¹) of binding constant for riviciclib-nucleic acid complexation infer moderate to strong affinity of riviciclib with DNA and tRNA, respectively. Molecular docking explorations are further in corroboration with our spectroscopic outcomes.

尽管近年来对癌症的起源，生长，组织相互作用和扩散的认识迅速增加，但是癌细胞的功能复杂性和独特的存活能力仍然使靶向细胞变得困难。Riviciclib是罗希图金的半合成衍生物，具有抗癌潜力。在不受控制的分裂细胞中抑制核酸活性可以形成开发新时代癌症治疗剂的基础。本研究使用光谱学和分子对接研究报告了riviciclib和核酸（DNA / tRNA）之间的分子相互作用，以试图了解其细胞毒性以及它们之间的结合性质和模式。振动光谱结果表明，riviciclib插入DNA双链体，并主要与鸟嘌呤，腺嘌呤和胸腺嘧啶核苷结合。在riviciclib-tRNA络合的情况下，riviciclib主要与tRNA分子的尿嘧啶残基相互作用。除核碱基外，riviciclib还与两种生物大分子的糖-磷酸骨架相互作用。构象上，DNA从B型变为C型，而tRNA的天然A型没有变化。订单（10riviciclib-核酸络合的结合常数⁴  M ^-1）分别推导riviciclib与DNA和tRNA的中等至强亲和力。分子对接的探索进一步证实了我们的光谱结果。