Title : Evaluation of telomerase inhibiting phytochemicals isolated from blumea eriantha for cancer treatment
Abstract:
Cancer continues to be a formidable global health challenge, necessitating innovative approaches for therapeutic intervention. This research focuses on the evaluation of phytochemicals isolated from Blumea eriantha for their potential as telomerase inhibitors in cancer treatment. Telomerase, a key enzyme implicated in cellular immortality and cancer progression, presents an attractive target for therapeutic intervention. The research employs a multidimensional methodology that seamlessly integrates in silico and in vitro approaches. In silico analyses encompass extensive data retrieval from authoritative databases such as PubChem, ChEBI, and others, facilitating the identification and classification of phytochemicals. Molecular docking studies using CB-Dock2, SeamDock, and DRDOCK explore the potential interactions between these phytochemicals and telomerase, providing insights into binding affinities and structural aspects of the complexes. Furthermore, the study employs a battery of predictive tools, including toxCSM, pdCSM Cancer, and SwissADME, to assess the pharmacokinetic and toxicological profiles of the identified phytochemicals. This comprehensive computational analysis aids in prioritizing candidates for subsequent experimental validation. In vitro investigations involve the determination of anti-cancer activity against the A549 cell line through MTT assay, wound scratch assay, and colony formation assay. The evaluation of anti-telomerase activity is carried out using the TRAP-based qPCR assay, providing a robust measure of telomerase inhibition. This assay capitalizes on the telomeric repeat amplification protocol, enabling the sensitive detection of telomerase activity and its modulation by the tested phytochemicals.
The integration of computational and experimental approaches enhances the reliability of the findings and offers a holistic perspective on the potential of Blumea eriantha-derived phytochemicals in cancer treatment. The research not only contributes to the growing body of knowledge on telomerase inhibition but also provides a roadmap for the development of novel anti-cancer agents from natural sources. The outcomes of this study hold promise for advancing the field of cancer therapeutics and inspire further investigations into the intricate interplay between phytochemicals and telomerase in the quest for effective cancer treatments.
Audience Take Away:
- Researchers and practitioners can leverage the in silico methodologies presented to efficiently identify and classify phytochemicals from natural sources.
- The molecular docking studies offer a practical framework for understanding the binding interactions between phytochemicals and telomerase, aiding in the rational design of potential anti-cancer agents.
- Computational tools for pharmacokinetic and toxicological assessments (e.g., toxCSM, SwissADME) provide a valuable resource for predicting the behavior of identified compounds in biological systems.
- In vitro assays, including the TRAP-based qPCR assay, offer experimental validation of the computational predictions, enhancing the robustness of the findings.
- Oncologists and cancer researchers can explore the identified phytochemicals as potential candidates for developing novel anti-cancer therapies.
- Medicinal chemists and drug designers can gain insights into the structural aspects of phytochemical-telomerase interactions, aiding in the rational design of targeted therapeutics.
- Faculty members in pharmacology, bioinformatics, and medicinal chemistry can use the comprehensive methodology as a template for expanding their research into the exploration of natural compounds for various therapeutic targets.
- The integration of in silico and in vitro approaches provides a multidisciplinary framework that can be adapted for teaching purposes, enhancing the educational experience for students in related fields.
- The research contributes to the development of potential cancer treatments derived from natural sources, providing a practical solution for designing anti-cancer drugs with reduced side effects compared to synthetic compounds.
- Computational tools for pharmacokinetic assessments simplify the drug design process by predicting ADME/tox profiles, streamlining the selection of lead compounds for further development.
- The in vitro assays, especially the TRAP-based qPCR assay, offer a precise method for evaluating telomerase inhibition, contributing to the accuracy of assessing anti-cancer activity
- The molecular docking studies provide new information on the structural aspects of phytochemical interactions with telomerase, enriching the understanding of potential therapeutic mechanisms.
- The research aligns with the growing interest in natural products as sources of therapeutic agents, promoting sustainable and eco-friendly drug discovery.
- Insights gained from the study may lead to the development of combination therapies, potentially enhancing treatment efficacy while minimizing side effects.
- The findings contribute to the broader field of cancer research, fostering collaboration and knowledge exchange among researchers and practitioners.
