DOCKING STUDIES FOR EXPLORING THE ANTI-CANCER POTENTIAL OF BIOACTIVE COMPOUNDS
- Department of Biotechnology, Koneru Lakshmaiah Education Foundation, Guntur, Andhra Pradesh, India.
- Department of Molecular Biology, Cresent Biosciences, ICRAB Campus, Kanpur, Uttar Pradesh, India.
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- Corresponding Author
Cancer continues to be a leading cause of global morbidity and mortality, necessitating innovative approaches for drug discovery and development. In this study, we employed molecular docking simulations to investigate the potential anti-cancer properties of bioactive compounds against critical oncogenic targets. A diverse set of bioactive compounds, sourced from natural products and synthetic libraries, were selected for their known biological activities and structural diversity.While cancer diagnoses have been documented for a century, the root causes remained elusive to physicians. This study aimed to pinpoint potential antitumor compounds within Stevia rebaudiana. Through GC-MS analysis, fifteen compounds were detected in the leaves. In silico analysis of these bioactive compounds against PRAD1 was conducted to assess their anti-cancer potential. Docking outcomes highlighted Tetradecanoic acid and Stigmastan-3,5-diene as the most promising candidates bound to PRAD1.The identified lead candidates offer promising avenues for the development of novel anti-cancer therapeutics, emphasizing the importance of integrating computational approaches in early-stage of drug discovery.
[Sai Bhumika Reddy Battagiri, Sai Rushitha Bhimavarapu, Nitya Chalasani, Shanmukha Priya Anaparthi, Tanmayi Sajja, Kommireddy Nandini, Moulya Gowrisetty and Reethika Singh Ranwas (2023); DOCKING STUDIES FOR EXPLORING THE ANTI-CANCER POTENTIAL OF BIOACTIVE COMPOUNDS Int. J. of Adv. Res. 11 (Oct). 786-790] (ISSN 2320-5407). www.journalijar.com
Department of Molecular Biology, Cresent Biosciences, ICRAB Campus, Kanpur, Uttar Pradesh, India.
Article DOI: 10.21474/IJAR01/17767
DOI URL: http://dx.doi.org/10.21474/IJAR01/17767
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