Drug discovery is a complex, resource-intensive process, often costing millions and facing a high failure rate—nearly 90% of programs fail due to off-target effects, toxicity, and dosage challenges. Aurigene.AI simplifies this journey by enabling holistic analysis across all phases of discovery and development.
Aurigene.AI is a secure, AI-powered cloud platform designed to accelerate drug discovery timelines by up to 30% across the Design-Make-Test-Analyze (DMTA) cycle. Built on proprietary Generative AI and Predictive AI models validated through physics-based simulations, it supports discovery for small molecules, peptides, siRNA, and large molecules, powered by NVIDIA AI enterprise solutions. Trusted by scientists in diverse design phases, this proven platform has already delivered remarkable results—making it a reliable choice for research teams to accelerate innovation and streamline development.
| Ligand Known | Ligand Unknown | |
|---|---|---|
| Target Structure Known |  | |
| Target Structure Unknown | | |
- Target = Enzyme/ Receptor/ Protein/ Nucleic acid/ Lipids, Carbohydrates
- Ligand = Compound/ Inhibitor/ Inducer/ Agonist /antagonist/ Modulator
"Aurigene.AI’s modular architecture ensures seamless adaptability across diverse drug discovery scenarios—enabling scientists to tackle complex challenges with precision and flexibility."
One-Stop Platform for Scientists
Aurigene.AI offers co-innovation opportunities across CRO and IDD programs, enabling rapid exploration of:
- Small Molecules (covalent & noncovalent)
- Peptides (cyclic, macrocyclic, stapled)
- Biologics (antibodies, vaccines, gene, & cell therapies)
- Targeted Protein Degraders (PROTACs, molecular glues)
- Oligonucleotides (siRNAs, mRNAs, aptamers)
Advanced features:
- Explainable AI for transparent decision-making
- Hit to lead identification using multiparameter-parameter optimization (MPO)
- Lead optimization using fragment growing, linker design, and scaffold hopping, AI-based docking
- Physics-based simulations for accurate prediction
- GIGA scale virtual screening for hit identification
- Multi-modality agentic design capabilities
- Access to standardised 180M+ real compound real compounds
- Target specific models for on/off-target selectivity
- Top ranked ADMET and potency AI models
Access Aurigene’s virtual library of 3.5 billion enumerated, target-focused molecules—designed to enable hit identification through giga-scale AI/ML-powered virtual screening and to support on-demand compound synthesis, accelerating drug discovery Click here
How does Aurigene.AI fit into your clinical pipeline?
Why Aurigene.AI Drug Discovery Platform?
Proven Scientific Excellence
- 20+ Years of Expertise in drug discovery
- Robust Predictive Models benchmarked with industry standards
Innovative Insight Technology
- Predictive, generative, and agentic AI for Hit-to-Lead optimization
- Explainable AI for early failure detection and faster DMTA iterations
- Structure normalisation rules for enhancing data quality
Experimentally Validated Results
- Real-world validation through POC studies
- Integration of computation and experimentation for candidate validation
Multi-Modality Therapeutic Capabilities
- Solutions for peptides, ADC, biologics, oligonucleotides, and target protein degradation
- Designed for novel, fast-follower, and undruggable targets
Technology Highlights
- Holistic integration of AI/ML, CADD, and Bioinformatics
- Physics-level simulations for accurate predictions
- Data segregation and restricted cross project contamination
- Operates on five foundational pillars: data, models, compute, validation and collaboration.
- Multi model, multi agentic design capabilities
- Powered by NVIDIA AI enterprise solution
Virtual Tour
Hyderabad R and D Center
Bangalore R and D Center
Connect with our scientific experts for your drug discovery, development, and manufacturing needs
We understand that clear communication is essential to successful collaborations, and that's why we have a dedicated team that is always ready to help you. Whether you have questions about our services, want to discuss a potential partnership, or simply want to learn more about our company, we're here to help.
Our team of experts is dedicated to providing personalised solutions tailored to your unique needs. So, please don't hesitate to reach out to us. We look forward to hearing from you and helping you achieve your business goals.
Learning Resources
JULY 05, 2023
How AI can accelerate drug discovery
Artificial Intelligence (AI) is a hot topic and a technology that will revolutionize and transform industries. In pharma, AI has the potential to advance clinical research and holds great promise for transforming the process involved in drug discovery, development, manufacturing, and distribution.Indicators are the rapidly growing number of AI-enabled biologics d...
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HPAPI Development at a Glance
The pharmaceutical industry's journey to improve patients' health has enhanced the number of more effective HPAPIs (High Potent Active Pharmaceutical Ingredient) in development pipelines. Traditionally, HPAPIs were exclusively concomitant with oncology therapeutics. ...
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Discovery, Development and Manufacturing Services
Aurigene Pharmaceutical Services is a leading contract research, development and manufacturing organization which provides range of services to enable your IND/NDA filing ...
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Technology meets sustainability - How a complex API development process goes green
We are always looking for ways to enhance the sustainability of our products and services. Our team successfully developed a scalable manufacturing process for the API product of one of our Biotech clients using eco-friendly manufacturing technologies. Read the case study to learn more....
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August 28, 2020
Formal synthesis of Cladospolide C & epi-Cladospolide C using R- (þ)-g-valerolactone as a chiral synthon
The formal synthesis of Cladospolide-C and its analog is achieved by using enantiopure (R)-g evalerolactone 10. The significant points of this synthesis are the stereoselective dihydroxylation of a, bunsaturated ester 16 using Sharpless protocol, Wittig olefination of g evalerolactol 6 with triphenylphosphonium iodide salt 7, one pot selective oxidation ...
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January 31, 2025
Development and assessment of a Bcs class II - SGLT2 (Sodium Glucose Cotransporter 2) inhibitor drug in the form of solid lipid Nanoparticles by selecting different lipids, co-surfactants, and manufacturing techniques
Drug Delivery System (DDS) has been used successfully in the past few decades to cure illnesses and enhance health because of its improved systemic circulation and ability to regulate the drug's pharmacological action. As pharmacology and pharmacokinetics advanced, the idea of controlled release emerged, demonstrating the significance of drug release in assessing...
Read More -
January 31, 2025
Development of novel paullone-based PROTACs as anticancer agents
Proteolysis-targeting chimera (PROTACs) represents a promising modality that has gained significant attention for cancer treatment. Using PROTAC technology, we synthesized novel structurally modified paullone-based PROTACs using Cereblon (CRBN) and Von Hippel–Lindau (VHL) E3 ligands....
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March 13, 2025
Development and verification of RP-HPLC method for the quantitative determination of Decitabine in tablet dosage formulation
Decitabine is an anti-cancer chemotherapy drug. This article describes method development and method verification of Assay of Decitabine in tablet formulation. A new, precise, rapid, accurate RP-HPLC method has been developed for the estimation of Decitabine in pharmaceutical tablets dosage form. After optimization the good chromatographic separation was achieved...
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