One of the most common gynaecological cancers is ovarian cancer (OC). Research on numerous studies is being conducted for new anticancer medications from natural sources, particularly plants, microorganisms, and phytochemicals, as there is an avital need for new therapies with unique mechanisms of action. The search for potent inhibitors is a great way to achieve chemo-protection. By focusing on poly (ADP-ribose) polymerase-1 inhibitors, our in-silico analysis provides screening and discovery of lead compounds. Phytochemicals are a significant source of bioactive molecules with various chemical moieties. This study highlights drug-like qualities, toxicity tests, and in-silico analysis of several phytochemicals in OC using various software. The obtained phytochemicals had the highest docking scores, indicating that they are effective anti-cancer substances for OC. These substances are excellent candidates for further experimental studies because of their bioactive potential and potential drug-like properties.
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