AI & Computational Powered Drug Discovery

AI & Computational Powered Drug Discovery

Bladder cancer is a complex and heterogeneous disease that poses significant challenges in diagnosis, prognosis, and targeted therapeutic development. However, the advancements in computational intelligence and machine learning have revolutionized the way we approach this formidable oncological challenge. At Alfa Cytology, we developed a robust and efficient platform to accelerate the drug discovery process for bladder cancer by using artificial intelligence and computational techniques.

Introduction to AI Powered Drug Discovery

Bladder cancer is the 10th most commonly diagnosed cancer worldwide, with over 500,000 new cases reported annually. Despite improvements in treatment modalities, the overall survival rates remain suboptimal, particularly for advanced-stage and recurrent disease.

Fig 1. Some applications of artificial intelligence in anti-cancer drug design. (Wang L., et al. 2023)Fig 1. Some applications of artificial intelligence in anti-cancer drug design. (Wang L., et al. 2023)

Conventional approaches to bladder cancer drug development have been hindered by the inherent complexities of the disease, including its genetic and molecular heterogeneity, as well as the limited understanding of the underlying disease mechanisms. However, the convergence of AI, computational chemistry, and our deep domain expertise is revolutionizing the way we approach bladder cancer drug discovery.

Our Services

At Alfa Cytology, we have pioneered the integration of cutting-edge artificial intelligence and computational techniques to accelerate the drug discovery process for bladder cancer. Our multidisciplinary team of experts, comprising biologists, data scientists, and computational specialists, has developed a robust and efficient platform that leverages the power of these innovative approaches.

Drug Discovery Services

We will do drug design, drug discovery and drug development services and come up with IND using less number of compounds (avoiding many molecules synthesis) with high success rate by exclusively using AI (Artificial Intelligence) / ML (Machine Learning) / DL (Deep learning) and CADD (Computer Aided Drug Design) / computational chemistry.

Fig 2. Drug Discovery Services.

Target Validation

  • Druggability Prediction
  • Off-Target Prediction

Hit Identification

  • Virtual Screening of Novel Compounds
  • Fragment Based Ligand Design

Hit-To-Lead

  • Enumeration
  • Structure Based Drug Design
  • Selectivity
  • Free Energy Calculations (FEP)
  • Permeability & Stability Studies

Lead Optimization

  • Enumeration
  • Structure Based Studies
  • ADME Filtering
  • Toxicity Studies
  • Free Energy Calculations (FEP)
  • Pre-formulation Development
  • Pharmacovigilance

We have in-house AI tools, computational protocols, a large pool of compound databases with state-of-art infrastructure to achieve the client's goal. Thus, we reduce the cost and time of discovery of drug candidates for any given novel drug targets.

Contact Us

Alfa Cytology is at the forefront of revolutionizing bladder cancer drug discovery through the seamless integration of computational intelligence and biological expertise. If you would like to learn more about our services or discuss potential collaborations, please contact us today to explore the possibilities of this innovative approach in bladder cancer therapy.

Reference

  1. Wang L., Song Y., and et al. Advances of Artificial Intelligence in Anti-Cancer Drug Design: A Review of the Past Decade. Pharmaceuticals. 2023, 16(2): 253.
For research use only. Not intended for any clinical use.
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Alfa Cytology is dedicated to drug development and preclinical services for bladder cancer.

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