Natural Medicine Reverse Targeting Service

Natural products refer to chemical constituents found in organisms or nature. Some natural products have good pharmacological or biological activities, and are often used in the field of drug discovery and drug design, such as artemisinin, paclitaxel, annona lactone, camptothecin, adriamycin, As203 and so on. A drug target is a target molecule used by a drug to achieve a curative effect. It refers to a biological macromolecule (including gene sites, receptors, enzymes, ion channels, nucleic acids) with important physiological or pathological functions and can be combined with drug molecules to produce pharmacological effects. Therefore, drug targets are the basis of drug screening and the premise of innovative drugs, which have original significance for the creation of new drugs. Similarly, natural products are an important source for new drug creation. Identifying their targets provides possible new strategies for clinical prevention and treatment and provides a basis for further elucidating the characteristics and molecular mechanisms of Chinese herbal medicines and their compounds.

Docking software

Glide or Vina software.

Method

The receptor-based reverse virtual screening method is based on the principle of molecular docking, connecting small molecule compounds to the target active sites in the target database, and ranking them according to the binding energy of the compound targets. The lower the binding energy, the higher the ranking, and the greater the likelihood of potential targets.

Overall solutions

Target information analysis.
Compound and target protein binding mode analysis.
Drug molecular design and chemical modification based on identified proteins.
Molecular docking method to determine the best chemical core structure.

Our services

Related Services:

• Structure-based Virtual Screening (SBVS) Service
• Reverse Virtual Screening
• 2D-QSAR Service
• 3D-QSAR Service

CD ComputaBio' natural medicine reverse targeting service can significantly reduce the cost and labor of the subsequent experiments. Natural medicine reverse targeting service is a personalized and customized innovative scientific research service. Each project needs to be evaluated before the corresponding analysis plan and price can be determined. If you want to know more about service prices or technical details, please feel free to contact us.

Reference:

1. Jun Zhan.;et al. In Silico Methods in Antibody Design. Antibodies.2018. 7(3), 22.

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