In this modern era, characterized by unprecedented growth in information technology, the use of computer-aided drug design (CADD) has taken a central place in streamlining the process of new drug development. Technological advancements have introduced innovative techniques, fostering the implementation of in silico methods in drug discovery and development processes. CD ComputaBio is at the forefront of utilizing modern CADD tools and techniques in the pharmaceutical sector, which significantly reduces the expense and timeline of drug development and improvement. CADD opens up unlimited possibilities to create, optimize, and field a broad database of more effective and safer drugs. We employ these state of-the-art tools and techniques to help our clients design new drugs, modify existing ones and predict their behavior in the biological system.
Our Service
Utilizing advanced algorithms and molecular modeling techniques, we conduct virtual screening to identify potential drug candidates.
Our services involve predicting the preferred orientation of a small molecule when bound to a target protein, enabling the exploration of ligand-protein interactions.
Through QSAR analysis, we establish correlations between chemical structures and biological activities to predict the potency of new compounds.
Our services involve identifying key structural features essential for molecular recognition and designing ligands that interact optimally with the target receptor.
Algorithms in CADD
Pharmacophore Modeling
Our algorithm utilizes spatial and electrostatic properties of ligand molecules to generate 3D pharmacophore models. These models are immensely valuable in identifying and designing new drug candidates.
ADME/T Prediction
Through our advanced computational models and powerful algorithm, we swiftly predict the Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADME/T) profiles of the potential drug candidates, thus systematically aiding clients in picking the most effective drug molecules.
Bioinformatics Analysis Services
By employing various tools like sequence alignment, prediction of protein structure, and genetic analysis, our algorithm aids in the extraction, interpretation, and understanding of multidimensional biological data.
Software We Use
We utilize various advanced software for simulations, comparisons, and analyses of molecular structures such as Gaussian, Modeller, Discovery Studio, and AutoDock.
Sample Requirements
Target Protein Structure: Provide the three-dimensional structure of the target protein (in PDB or other relevant format).
Compound Library: Share the library of compounds to be screened or designed (in SD or SMILES format).
Project Objectives:Clearly outline the goals and expectations of the project, including specific requirements and constraints.
Results Delivery
- Comprehensive Report: A detailed report summarizing the methodology, results, and implications of the analysis conducted.
- Virtual Screening Results: List of potential lead compounds identified through virtual screening, along with their predicted binding affinities.
- Molecular Docking Analysis: Visual representations of ligand-protein interactions and binding modes for prioritized compounds.
- QSAR and Pharmacophore Models: Predicted activity profiles and key structural features essential for biological activity.
- ADME/T Predictions: Assessment of absorption, distribution, metabolism, excretion, and toxicity properties for lead compounds.
Our Advantages
Tailored Solutions
We offer personalized CADD services tailored to the unique needs and goals of each client, providing customized strategies that optimize the drug discovery process and maximize success rates. We leverage the latest advancements in computational tools, algorithms, and software platforms to deliver state-of-the-art solutions that drive innovation and efficiency in drug design projects.
Collaboration and Communication
We prioritize open communication, collaboration, and knowledge-sharing with our clients, fostering partnerships built on trust, transparency, and mutual success. Our cost-effective CADD services are designed to maximize value for our clients, offering competitive pricing without compromising on quality or performance.
Cost-effective Solutions
Our cost-effective CADD services are designed to maximize value for our clients, offering competitive pricing without compromising on quality or performance. With a commitment to excellence, innovation, and customer satisfaction, we are your trusted partner in accelerating the journey from target identification to lead optimization and beyond.
* For Research Use Only.
