Natural Product Modeling Service

Natural products, with their intricate structural diversity and remarkable biological activities, have long been a cornerstone of drug discovery. However, the journey from identifying a promising natural product to developing a life-saving therapeutic is often complex and resource-intensive. CD ComputaBio offers natural product modeling services, leveraging the power of computational chemistry and advanced modeling methods to accelerate your research and unlock the full potential of nature's pharmacy.

Introduction to Natural Product

Natural products, also known as secondary metabolites, represent a vast and structurally diverse array of chemical compounds produced by living organisms, including microorganisms, plants, and animals. Unlike primary metabolites, essential for fundamental life processes such as growth and reproduction, natural products often play specialized roles in ecological interactions, defense mechanisms, and adaptation to environmental stresses. These compounds span a vast chemical diversity unmatched by synthetic libraries, making them indispensable in drug discovery. For example, approximately 50% of FDA-approved drugs, including artemisinin (antimalarial) and paclitaxel (anticancer), are derived from natural products or their synthetic analogs.

Fig 1. (A) Photo of an Artemisia sp. (Artemisia annua L.); (B) Chemical structure of Artemisinin and its derivatives. (Das G, et al., 2024)

Natural Product Modeling

Natural product modeling encompasses a suite of computational methods employed to visualize, analyze, and predict the properties and interactions of these complex molecules. Molecular mechanics, quantum mechanics, molecular dynamics simulations, and cheminformatics approaches are integral components of this field. Leveraging the power of computational chemistry and bioinformatics, these methods provide invaluable insights into the three-dimensional structures, conformational landscapes, electronic properties, and potential biological activities of natural products. By constructing accurate in silico representations of natural products, researchers can gain a deeper understanding of their structure-activity relationships, identify potential drug candidates, and optimize their properties for therapeutic applications.

Our Services

Natural products remain a cornerstone of drug discovery, offering unparalleled chemical diversity and evolutionary optimization. CD ComputaBio's expertise in molecular modeling positions them at the forefront of this transformative field, unlocking the full potential of natural chemical treasury.

By Types

By Modeling

Result Delivery

A report is used to present the analysis results, research achievements, and possible interpretation scenarios of natural product modeling, including:

Our Advantages

CD ComputaBio stands at the forefront of natural product modeling, driven by a fusion of domain expertise, state-of-the-art computational tools, and client-centric innovation. Our ability to deliver rapid, reliable, and cost-effective solutions has been validated by partnerships with academic labs and pharmaceutical giants alike. By choosing CD ComputaBio, clients gain access to a team that not only deciphers the complexity of natural products but also transforms them into candidates. Contact us today to learn more about how our services can empower your research.

Reference:

1. Das G, Shin H S, Patra J K. The Antiviral and Antimalarial Prodrug Artemisinin from the Artemisia Species: A Review[J]. Current Issues in Molecular Biology, 2024, 46(11): 12099-12118.

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