Open Research Portal

Understanding Drug Resistance
in Oncology

OncoResist is a curated database and AI-powered research tool for exploring how cancer cells develop resistance to FDA-approved targeted therapies. Built for researchers, clinicians, and students who need fast, reliable answers grounded in real data.

169 FDA-Approved Drugs
232 Protein Targets
359+ Resistance Mutations
871 PubMed References

Drug Resistance is the Central Challenge in Cancer Treatment

Targeted therapies have transformed oncology — drugs like imatinib, erlotinib, and vemurafenib produce remarkable initial responses. But cancer cells adapt. Through acquired mutations in drug targets, activation of bypass pathways, and off-target genomic alterations, tumors develop resistance and treatment fails.

Understanding which mutations cause resistance, which drugs share resistance profiles, and what the clinical literature says about specific alterations requires navigating multiple disconnected databases — COSMIC, DrugBank, UniProt, PubMed — and synthesizing information manually. OncoResist brings this together in one place.

Built for Research, Not Just Browsing

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Explore Resistance Mutations

Browse resistance mutations for any FDA-approved oncology drug, classified as on-target or off-target from COSMIC Drug Resistance data. See which genes are implicated and how many patient samples carry each mutation.

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Visualize in 3D

Click any mutation chip to highlight the mutated residue directly on the protein's 3D structure. Structures are fetched live from the RCSB Protein Data Bank with SIFTS residue mapping for accurate positioning.

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Download Mutated Structures

Select resistance mutations and download a computationally generated mutant PDB file for use in PyMOL, UCSF Chimera, or other structural biology tools. No registration required.

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Cross-Drug Relationships

Discover which drugs share protein targets, which mutations confer pan-resistance across multiple therapies, and how resistance profiles differ between drug generations — without manually cross-referencing multiple databases.

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ADMET Comparison

Compare physicochemical and drug-likeness properties of any two drugs side by side. Molecular weight, logP, TPSA, hydrogen bond donors and acceptors, Lipinski and Veber rule compliance — computed directly from SMILES structures.

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AI Research Assistant

Ask natural language questions and get answers grounded in the database — not hallucinated. The assistant cites specific PubMed references, links to portal pages, and reasons across multiple data sources to answer complex queries.

How Researchers Use OncoResist

01
Investigating resistance to a specific drug

Navigate to the drug page, review on-target mutations grouped by gene, click chips to see where mutations fall on the 3D structure, and download mutant coordinates for further docking or MD simulation.

02
Understanding a specific resistance mutation

Ask the AI assistant about a mutation like T315I — it will identify all drugs affected, retrieve clinical evidence from indexed PubMed papers, and explain the structural basis of resistance with inline citations.

03
Comparing drug generations for treatment planning

Use the resistance landscape tool to see how resistance has evolved across drug generations for a target like ABL1 or EGFR — from first-generation inhibitors through to drugs specifically designed to overcome resistance.

04
Evaluating drug-likeness for lead optimization

Compare ADMET profiles of structurally similar drugs to understand how physicochemical properties differ and what trade-offs exist between potency and oral bioavailability.

Where the Data Comes From

OncoResist integrates data from four primary sources, processed and linked into a unified SQLite database.

COSMIC
Resistance mutations and patient sample counts from the Catalogue of Somatic Mutations in Cancer Drug Resistance database. Classification of on-target vs off-target mutations is computed based on whether the mutated gene is a confirmed target of the drug.
DrugBank
Drug profiles including indication, mechanism of action, approval dates, ATC codes, SMILES structures, molecular weight, PubChem CID, and ChEMBL ID for all 169 drugs.
UniProt / RCSB PDB
Protein target annotations including gene names, cellular location, and general function from UniProt. Crystal structures fetched live from RCSB with SIFTS residue mapping for accurate mutation positioning.
PubMed / Europe PMC
871 PubMed abstracts indexed in a vector database for semantic search. References are linked to specific mutations and drugs, enabling the AI assistant to cite relevant literature inline.

Built With

FastAPI Backend framework
SQLite Primary database
ChromaDB Vector search
Groq + Llama 3.3 AI agent LLM
Mol* / MolViewSpec 3D structure viewer
RDKit ADMET computation
BioPython Structure mutation
Railway Hosting & CI/CD
Project

OncoResist

Built by Satish Bhande as a research and portfolio project exploring the intersection of structural bioinformatics, drug resistance data, and applied AI.