In Silico based Identification of Novel Phytomolecules from Piper Longum for Drug Discovery against Cox-2
Author(s): Indrajeet Singh, Hara Prasad Mishra, Pravesh Kumar and Ajay Kumar*
Abstract
Background: Acquired drug resistance is one of the key clinical problems and the main downsides of chemotherapy regimens for colorectal cancer. Using blend regimens, which mix conventional chemotherapeutic medications through plant-derived natural compounds derived from food or vegetation, is one of the most popular and efficient ways to overcome drug resistance and re-sensitize chemotherapy-resistant cells. Colorectal cancer is amongst the most common cancers. Despite improvements in its therapies, a fuller understanding of the molecular processes and genetic contribution to colorectal cancer will play a crucial role in the development of innovative and targeted treatments with improved safety profiles. In this review, the association between piperlongumine and Cyclooxygenases- 2 colorectal carcinogenesis, as well as potential mechanisms of action, are investigated. Cyclooxygenases-2 participates in colorectal cancer and other malignancies have drawn a lot of interest because of their crucial role in decreasing, preventing, or altering the itinerary of the illness. The greater selectivity on certain macromolecular targets and significant advancements in colorectal cancer therapies with in-silico research were also presented. Additionally, by using in-silico approaches for target identification and medication repurposing, as well as molecular de novo synthesis, selective multi-target agents have been made simpler. The molecular docking investigation of piperlongumine with various apoptotic proteins implicated in colorectal cancer is documented. The data demonstrate that piperlongumine has ideal binding properties with Cox-2 for further investigation in this context.
Methodology: In current study we considered medicinal plants and their phytochemicals to reveal their interaction pattern with crucial enzymes Cox-2 that play an important role in cancer. In current study we aimed to conduct in-silico analysis for revealing the anti-inflamaation nature of phytochemicals piperlongumine. This study also involves molecular docking, Pharmacophore model, Lipinski drug analysis, and fundamental ADME analysis of phytochemicals that assisted us in developing core medicinal background of phytochemicals.
Results: The molecular docking investigation of piperlongumine with various apoptotic proteins implicated in colorectal cancer is documented. The data demonstrate that piperlongumine has ideal binding properties with Cox-2 for further investigation in this context.
Conclusion: This study advocates the use of substances containing piperlongumine as possible colorectal cancer therapies. This lead chemical will be useful to the scientific community and might help in the search for novel colorectal cancer therapies.
