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Insilico Drug Discovery Services

Our primary expertise lies in the hit identification and hit-to-lead optimization phases of drug discovery. This critical stage involves transforming promising molecular structures into viable drug candidates. Our skilled team utilizes state-of-the-art computational techniques and a data-driven approach to streamline this complex process and increase the efficiency of drug development.

Proprietary Database

Harnessing the Power of Data.

Our extensive small molecule database, housing approximately four billion compounds, serves as a robust foundation for our services. Not only does it encompass a wide array of small molecules, but it also includes small peptides of tetra to penta length. This rich resource allows us to address the specificity of protein targets and customize peptide lengths based on the unique characteristics of the binding pockets.

Homology Modelling

When crystal structure data is not available, our team utilizes homology modeling services to generate reliable, predictive three-dimensional structures for the target proteins. This method is crucial for understanding the protein’s functional mechanism and offers a solid foundation for drug design and virtual screening processes. Enhance your research with our cutting-edge solutions.

Machine Learning in Drug Discovery 

We harness the transformative power of machine learning to revolutionize the drug discovery process. By utilizing predictive modeling and analyzing vast quantities of data, we can identify patterns and generate insights more quickly and efficiently. This technological edge allows us to stay at the forefront of the drug discovery field. Compounds with the highest probability of success, are prioritized. 

Cloud Computing with AWS

Our commitment to providing top-tier services extends to the resources we use. For computationally demanding tasks such as long-run molecular dynamics simulations, we utilize Amazon Web Services (AWS). This robust platform ensures that we have the computational resources to handle extensive computations, providing you with reliable results in a timely manner.

Customizable Screening Methods

We understand that every project comes with its unique challenges and requirements. That's why we offer customizable screening methods, allowing us to tailor our approaches to suit the unique needs and goals of each project.

Hit Identification

Our advanced computational methods and extensive database efficiently identify hit compounds for drug design. Using virtual screening and molecular docking, we locate promising compounds that interact favorably with biological targets. With our curated database including diverse peptides, our platform offers unparalleled screening options. We offer tailored solutions and expertise in computational analysis and modeling.

Virtual Screening

Our advanced virtual screening pipeline integrates a diverse range of molecular docking software and tools. This ensures comprehensive screening and facilitates the identification of potential lead molecules from our vast database. Our aim is to increase the efficiency of the drug discovery process by rapidly narrowing down the most promising compounds.

Hit-to-Lead Optimization

Once promising hits are identified, our focus shifts to hit-to-lead optimization. Here, we implement advanced molecular modeling and cheminformatics techniques to refine and optimize these potential lead molecules. This includes in-depth analyses of the structure-activity relationship (SAR) to refine potency, selectivity, and the absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties of the molecules

Collaborative Approach

At Pharmaeconomica, we believe in a collaborative approach, working closely with our clients to understand their unique needs and project objectives. We work closely with our clients to understand their unique needs and project objectives. This close cooperation allows us to adapt our strategies and provide the most effective hit identification and hit-to-lead optimization solutions.

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