Drug Discovery Overview

  • Discover Novel Chemical Entities and Repurpose Existing Drug Candidates: Revolutionizing Candidate Screening

    At our cutting-edge AI and Physics-based drug discovery platform, we incorporate advanced screening methodologies to our proprietary insilico tools to evaluate millions of potential drug candidates for specific disease related targets. We help in cutting down your R&D time for early stage drug design and screening from 18 months to 6 months by using the power of AI, high performance computing and cloud computing.

    Our multi-target multi-ligand screening methodology follows a rigorous three-stage process which encompasses molecular docking, full atomistic molecular dynamics, and meta-dynamics based free energy calculations to execute a proficient binding interaction study. This three step methodology helps in reducing the false positive (from docking only methods) by more than 90% and we provide quantitative predictions. The same methodology is well tested for repurposing as well. If you are looking for synergistic molecules along with an existing drug our AI and physics-based platform is one of the forerunners in this domain.

    Our platform utilizes advanced scoring functions for highly accurate quantitative predictions, ensuring the selection of optimal efficacy drug candidates with exceptional specificity to the target of study. Additionally, we offer comprehensive solutions to various challenges in the field of drug development making sure that our service will bring out the best of your study. Apart from that our platform helps you for accurate predictions of physico-chemical properties. These invaluable insights from our platform contribute to well-informed decision-making and expedite the drug discovery process.

    With the aid of our groundbreaking drug discovery platform,supported by rigorous scientific methodologies and advanced computational techniques we are revolutionizing the idea of drug discovery by delivering highly specific and effective drug candidates.

    Partner with us to explore and unlock novel possibilities in highly efficient discovery and repurposing of drug molecules for a healthier future.

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    We are occupied with an innovative approach which will prioritize the drug molecules for virtual screening protocols to make sure that the limitations of high-throughput computational methods will never be a barrier in your journey along with that, we are putting forward an unique method to quantify the physicochemical properties of chemical compounds as well.

    Our software platform encompases of computer simulations and machine learning, providing systematic understanding and cost-effective solutions for structure-activity relationship studies. We recognize the intricate connection between structure and properties in both biological systems and chemical compounds, which empower us to design new compounds with high precision.

    With services including protein structure prediction and structure-related function prediction, we enable researchers to gain valuable insights for the development of new therapeutics. We welcome you to leverage our expertise and drive innovation in the field of drug design by utilizing the platform to accelerate your compound designing process.

    Join us on this transformative journey as we unlock compound insights through leading-edge methods, revolutionizing the way we understand and harness the power of structure-property predictions. Together, let's shape the future of drug discovery and compound design.

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    Welcome to our comprehensive suite of services dedicated for revolutionizing drug formulation and delivery. We specialize in predicting formulations and ensuring their stability, particularly for injectables and liposome-based delivery systems. Moreover, we have made significant advancements in gene delivery using polymeric and exosomal vectors, unlocking new possibilities in targeted therapies.

    Polymorphism exhibited by compounds is one of the major challenges faced by our drug industry, as a fact of astonishment we are here with the perfect solution for the problem. Our proprietary algorithms and protocols deeply rooted in quantum chemical calculations and Monte Carlo simulations, enable us to accurately predict polymorphs and understand their dynamics.

    This breakthrough capability ensures the stability and effectiveness of drug formulations, allowing for confident advancement in the field of pharmaceutical development.

    With our advanced methodologies and expertise, we empower researchers and industry professionals to optimize drug formulation, enhance delivery systems, and overcome the complexities of polymorphism. By partnering with us, you gain access to innovative solutions that drive precision, efficiency, and success in the realm of drug formulation and delivery.

    Together, let's transform the landscape of drug development, unleash the potential of precision medicine, and shape a healthier future for all.

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    In the face of ever-expanding knowledge about pathways, protein structure-function relationships, nucleic acids, and human genome data, pharmaceutical companies encounter intricate challenges in handling and comprehending these complexities to drive meaningful outcomes. That's where we step in.

    At Prescience, we offer a comprehensive suite of solutions and services designed to unlock the power of biological data through advanced analytics and computer simulations. Our in-house computational biology platform seamlessly integrates a diverse range of cutting-edge tools, complemented by our highly experienced team of experts. Together, we provide you with a great opportunity for better predictions on drug interactions along with a clear mechanistic insight into biological processes like enzyme actions, and much more.

    We empower you by providing the knowledge and foresight needed for informed decision-making with our transformative approach to navigate through the intricacies of biological data. By leveraging the power of analytics and simulations, we help you to unravel complex biological networks, decode the underlying mechanisms of various drug interactions, and ultimately gain a deeper understanding of biological processes.

    Join forces with us to unlock the potential of computational biology and revolutionize your research and development efforts. Let our expertise and pioneering platform propel you towards ground breaking discoveries, innovative solutions, and transformative advancements in healthcare.

Our Capabilities

We offer comprehensive services for all your in-silico projects, covering a wide range of areas including computational and AI-based drug design, lead identification, validation, formulation along with computational biology and chemistry . Our team of experts is highly experienced and skilled in utilizing advanced computational techniques and cutting-edge AI algorithms to deliver exceptional results. We have attached our detailed offerings for your reference, outlining how our expertise can effectively support and enhance your project goals. Let us be your trusted partner in driving innovation and success through our state-of-the-art in silico services.

  • High throughput in silico screening

    Our advanced computational platform enables rapid and efficient screening of extensive compound databases, surpassing a million in number. Using sophisticated physics-based techniques like molecular dynamics and free energy calculations, we meticulously evaluate these compounds. Through molecular dynamics simulations, we gain a comprehensive understanding of the compounds' atomic-level behaviour, including their interactions and dynamics. Additionally, free energy calculations provide quantitative insights into the compound’s thermodynamic properties and energetics. By harnessing these highly quantitative methods, we can prioritize the most promising drug candidates based on their specific target interactions and efficacy. This streamlined approach significantly accelerates the drug discovery process, paving the way for the identification of novel therapeutic options.

  • To handle the immense volume of compounds, we leverage our proprietary platform PRinS3® combined with the immense computing power of the public cloud, including AWS and GCP. Our platform efficiently manages and screens this vast number of compounds, ensuring seamless scalability and performance. By harnessing the capabilities of the public cloud, we can access its computational resources to accelerate the screening process and deliver results with exceptional speed and accuracy. This strategic utilization of cloud computing empowers us to efficiently handle the computational demands of screening large compound databases, enabling us to swiftly identify potential drug candidates for further evaluation and development.

  • The innovative approach we put forward for the compound design involves the utilization of our proprietary generative AI algorithm, which is based on ligands (scaffolds) and their physicochemical properties or targets. With this powerful algorithm, we can generate libraries of novel compounds that possess unique chemical structures and desired characteristics. By considering ligands as the foundation and analysing their physicochemical properties or specific targets, our algorithm creates diverse and tailored compound libraries. This approach helps us to explore a wide range of chemical spaces and identify promising drug candidates for further evaluation and development. Through the integration of AI-driven compound design, we empower our clients with a valuable tool to drive innovation by accelerating the discovery of novel therapeutics.

  • Our approach to drug repurposing involves the utilization of FDA-approved drugs as well as our comprehensive library of compounds to target multiple diseases simultaneously. In addition, our extensive compound library provides a diverse range of molecules that can be screened and evaluated for their efficacy against multiple disease targets. This allows us to explore the potential of existing drugs and novel compounds in a parallel and efficient manner, increasing the chances of discovering new treatment options for multiple diseases in a single effort

  • To enhance the evaluation of compounds, we employ advanced AI-based models such as Quantitative Structure-Activity/Property Relationships (QSA/PR), AI-ADMET, Blood-Brain Barrier (BBB) permeation, and solubility models. These AI-driven models are designed to predict and assess crucial characteristics of compounds. Through QSA/PR, we can analyze the relationship between chemical structure and activity/property, enabling us to make informed predictions. The AI-ADMET model evaluates the absorption, distribution, metabolism, excretion, and toxicity properties of compounds. BBB permeation models help us assess a compound's ability to cross the blood-brain barrier. Additionally, our solubility models aid in predicting a compound's solubility in different environments. By leveraging AI-based models, we enhance the evaluation process, facilitating efficient compound screening and prioritization.

  • Utilizing quantum chemical calculations, we harness their power in various aspects of compound design and analysis. Linker design is optimized by incorporating these calculations to enhance connectivity and stability between molecular components. Furthermore, quantum chemical calculations provide invaluable insights into the mechanisms of chemical reactions, illuminating reaction pathways and transition states. This understanding empowers us to optimize reaction conditions as well as the synthetic routes involved. Anticipating potential impurities during synthesis is made possible through the predictive capabilities of quantum chemical calculations, enabling proactive mitigation strategies. As an integral part of our toolkit, these calculations enhance our decision-making processes, driving efficient compound design and development with precision and confidence.

  • Our in silico and AI-based methodologies empower us to predict and optimize drug formulations, encompassing stability and release kinetics for a diverse range of molecules irrespective of the size of entities (eg,siRNA, mRNA, and DNA). With the aid of computational modeling and artificial intelligence, we can simulate and analyze the behavior of these molecules within various formulation systems. By considering factors such as molecular interactions, solubility, and physicochemical properties, we gain valuable insights into formulation stability and release profiles. This enables us to tailor formulations to specific drug candidates, optimizing their performance and therapeutic potential. With our advanced predictive capabilities, we expedite the formulation development process, providing valuable guidance for efficient drug delivery systems.

  • We specialize in developing customized analysis tools, web tools, image processing tools, and pipelines tailored to the specific requirements of our clients. Our expert team excels in creating solutions that streamline data analysis, visualization, and interpretation. Our customized analysis tools enable efficient processing and extraction of insights from complex datasets. User-friendly web tools facilitate interactive exploration and visualization of results. Additionally, our image processing tools enhance and analyze images across various domains. Through robust pipelines, we ensure seamless integration of software components, optimizing workflow efficiency. Our aim is to provide powerful and user-friendly tools to drive research and data analysis efforts.

  • Our services enable a significant reduction in the time required for early-stage drug discovery, cutting it from 18 months down to just 9 months through the utilization of advanced computational methods and data analysis. Expedite the identification of potential drug candidates. This streamlined approach not only accelerates the drug discovery process but also leads to substantial time and cost savings. By leveraging our expertise, pharmaceutical companies and researchers can efficiently prioritize and advance promising compounds for further development.

Why Choose Prescience for Your Service

  • Rapid and High-Quality Solutions

    Prescience Insilico is committed to deliver fast and top-quality solutions for your projects. In addition to our responsive email and phone support, we offer remote technical assistance to promptly troubleshoot and resolve the issues regarding remote connections. Our experienced support personnel are extensively trained in troubleshooting, ensuring that you will receive efficient and effective problem resolution.

  • We understand the significance and importance of reliable support in maintaining smooth operations. Our applications and simulation modules undergo rigorous testing to ensure stability and flawless performance with the support provided by our team of experts who have received training from prestigious national and international institutions and industries, boasting diverse research backgrounds. The extensive expertise of our team ensures that they provide dependable support and swift resolutions for any challenges that may arise during your projects.

  • At Prescience Insilico, we are dedicated to expedite the discovery process by continuously improving our methodologies and procedures. Through the automation of manual operations, we have significantly enhanced the performance of our platforms, surpassing the capabilities of individual operation modules. Our applications are customized to meet your specific needs, reducing the resources required on your end. The flexibility of our technology allows seamless integration of different simulation modules, enabling the creation of efficient process applications. This agility shortens the application development time, ensuring prompt solutions tailored to your requirements. Our computation platforms are equipped with advanced techniques for comparing and visualizing simulation data, streamlining the discovery process even further.

  • Prescience Insilico prides itself on developing applications that leverage innovative techniques while maintaining computational efficiency. By integrating various computational modules, we create unique platforms that cater to your specific interests. The automation of manual operations reduces computational cost and enhances user-friendliness. Our drug design and material design platforms exemplify our commitment to provide effective and efficient solutions. Our software platform is designed with flexible technology, allowing for rapid process design without the need for code rewriting. The user-friendly graphical user interface (GUI) simplifies data analysis and visualization, eliminating the need for extensive post-processing. Furthermore, our modules incorporate cutting-edge machine learning and AI technologies, optimizing their performance and efficiency. Our data connector is a powerful tool that seamlessly integrates data across different components of the platform.