INTRODUCTION New therapeutic approaches are desperately needed because cancer continues to be a major global killer. The phosphoinositide 3-Kinase (PI3K) signaling pathway is particularly noteworthy among the cellular pathways implicated in cancer. This pathway is crucial for regulating various cellular functions such as growth, survival, and metabolism. Multiple malignancies’ initiation and advancement have been linked to their dysfunction. Recent advancements in computational biology have opened new avenues for drug discovery, particularly in the realm of targeted cancer therapies. Potential anti-cancer drugs are identified and evaluated using state-of-the-art methods like molecular docking, ligand-based virtual screening, and ADMET analysis. In this context, the flavonoid quercetin has emerged as a promising natural compound that can inhibit the PI3K pathway. Quercetin is a polyphenolic compound found in various fruits, vegetables, and medicinal herbs. It has been shown to exhibit anti-cancer properties by targeting the PI3K pathway, thereby inhibiting cell proliferation and inducing apoptosis in cancer cells. 1,2 For the scope of this paper, we will employ a multi-faceted approach to explore the anti-cancer potential of quercetin and other bioactive compounds. Ligand-based virtual screening ABSTRACT Cancer continues to be a global health burden, necessitating the exploration of innovative anti-cancer therapeutics. This study leverages computational biology tools such as molecular docking, ligand-based virtual screening, and ADMET to evaluate quercetin flavonoids as potential PI3K inhibitors for cancer treatment. Using Swiss Similarity and CB-Dock tools, 51 compounds were identified that showed promising interactions with PI3K. DB01645 exhibited the highest binding affinity among these, with a Vina score of -8.6. ADMET analysis revealed that this compound has favorable physicochemical properties, moderate lipophilicity, and good water solubility. The study adds to the growing evidence that Quercetin flavonoids have significant potential as next-generation anti-cancer agents targeting the PI3K pathway. Keywords: Cancer, PI3K inhibitors, Quercetin flavonoids, Molecular docking, ADMET analysis, Ligand-based virtual screening, Drug discovery, Computational biology. International Journal of Drug Delivery Technology (2023); DOI: 10.25258/ijddt.13.3.31 How to cite this article: Patil K, Nemade M, Bedse A, Chandra P, Ranjan R, Tare H, Bhise M. Virtual Screening, Molecular Docking, and ADMET Analysis of Flavonoids as a Potential Pi3k Inhibitor for Cancer Treatment. International Journal of Drug Delivery Technology. 2023;13(3):966-970. Source of support: Nil. Conflict of interest: None Virtual Screening, Molecular Docking, and ADMET Analysis of Flavonoids as a Potential Pi3k Inhibitor for Cancer Treatment Khushabu Patil 1 , Mahesh Nemade 2* , Anjali Bedse 3 , Piyush Chandra 4 , Rakesh Ranjan 4 , Harshal Tare 5 , Manish Bhise 6 1 Department of Pharmaceutical Chemistry, Shellino Education Society’s Arunamai College of Pharmacy, Mamurabad, Kavayitri Bahinabai Chaudhari North Maharashtra University, Jalgaon, Maharashtra, India. 2 Department of Pharmacology, TVES’s Honorable Loksevak Madhukarrao Chaudhari College of Pharmacy, Faizpur, Affiliated to Kavayitri Bahinabai Chaudhari North Maharashtra University, Jalgaon, Maharashtra, India. 3 Department of Pharmaceutics, K. K. Wagh College of Pharmacy, Nashik, Affiliated to Dr. Babasaheb Ambedkar Technological University, Lonere, Dist. Raigad, Maharashtra, India. 4 Department of Pharmacy, Government Pharmacy College, Nalanda, Affiliated to Bihar University of Health Sciences, Bihar, India. 5 Department of Pharmacognosy, Sharadchandra Pawar College of Pharmacy, Otur, Affiliated to Savitribai Phule Pune University, Pune, Maharashtra, India. 6 Department of Pharmaceutics, Shri Gurudatta Shikshan Prasarak Sanstha’s Institute of Pharmacy, Akola, Affiliated to Sant Gadge Baba Amravati University, Maharashtra, India. Received: 07 th March, 2023; Revised: 16 th June, 2023; Accepted: 20 th August, 2023; Available Online: 25 th September, 2023 RESEARCH ARTICLE *Author for Correspondence: msnemade@gmail.com