Medicilon AI Drug Discovery Service Platform: An Efficient Booster for New Drug Development

In recent years, the AI pharmaceutical industry has been entering a prosperous golden period of development. With the rapid advancement of AI technology and the widespread application of big data, AI has shown tremendous potential and value in the field of drug development. The traditional drug development process is lengthy, costly, and has a high failure rate. The introduction of AI technology has made drug development more efficient and precise.

Medicilon, as a one-stop biopharmaceutical preclinical CRO, has been actively exploring cutting-edge technologies in drug development for twenty years. In the AI pharmaceutical field, Medicilon has established an AI drug discovery platform based on collaborations with several AI innovative drug development companies such as InSilico Medicine and MindRink.

Services of Medicilon AI Drug Discovery Service Platform.webp

Medicilon's AI technology service platform can provide protein structure prediction and simulation, binding site discovery, information extraction and cleansing, as well as customized project database construction, meeting diverse needs of researchers. In addition, the platform deeply supports key research and development stages such as Target-to-hit, Hit-to-lead, Lead-to-PCC, providing comprehensive technical support for drug development and accelerating the drug development pipeline process.

01 AI + Structural Biology

Medicilon has extensive research experience in structural biology, providing strong service support for Structure-Based Drug Design (SBDD).

Protein Expression And Purification Services

Multiple protein expression systems

Various purification tool enzymes

Years of experience in expression and purification

Protein Crystallization Services

High-throughput screening for crystallization conditions

Customized crystal cultivation

Collaboration with multiple partners

AI Protein Structure Prediction

Application of open-source data models

Collaboration with multiple partners to provide more accurate predictions

02 AI+Target-to-HIT

Medicilon's AI Target Bioanalysis utilizes methods such as biological pathway analysis, omics analysis, and organ expression analysis to deeply explore the connections of biomarkers, uncovering potential drug targets. In addition, the platform collaborates closely with multiple virtual compound library suppliers to conduct efficient virtual screening, rapidly generating hit compounds, and verifying them through various technological methods.

Medicilon AI Target Bioanalysis

Biological Pathway Analysis
AI-assisted construction of biological pathway databases
AI virtual analysis of biological pathway signal topology

Omics Analysis
Machine learning for exploring biomarker connections

Organ Expression Analysis
Discovery of expression sites by integrating big data with reality

Medicilon AI Target Drug Molecule Screening

(1) Deep collaboration with multiple virtual compound library suppliers (Enamine, Life chemicals)
(2) Efficient virtual screening
(3) Support for high-throughput screening methods such as TR-FRET, FP
(4) Rapid generation and derivatization of hit compounds
(5) Support for Hit validation using NMR, MST, SPR

AI+ Hit-to-Lead

From Hit to Lead compounds, Medicilon AI Drug Discovery Platform utilizes advanced AIDD/SBDD technologies to design novel scaffold molecules and optimize the structure and activity of drug molecules.

(1) AIDD/SBDD
(2) Novel scaffolds
(3) Molecular docking
(4) Molecular dynamics simulations
(5) Free energy perturbation
(6) Synthetic feasibility analysis

AI+ Lead Compound Optimization

In the journey of drug development, optimizing lead compounds is a crucial step. Medicilon AI Drug Discovery Platform, leveraging its cutting-edge technology and extensive industry experience, provides comprehensive and precise support for lead compound optimization.

(1) AI molecular generation models
(2) AI activity prediction
(3) Structure-activity relationship (SAR) studies
(4) ADME prediction
(5) Physicochemical property prediction
(6) Selectivity/off-target activity

AI+ Drug Candidates

Regarding candidate compounds, Medicilon AI Drug Discovery Platform's services cover multiple critical stages including activity testing, animal efficacy validation, ensuring comprehensive validation and evaluation of candidate drugs before clinical application.

(1) Activity testing
(2) Animal efficacy validation
(3) Pharmacokinetic studies
(4) Toxicology studies

Medicilon AI Drug Discovery Platform - AIDD Case Studies

Medicilon and Binhui Biopharmaceutical Have Reached a Strategic Collaboration to Jointly Draw a New Blueprint for the Development of New Biological Drugs

On March 18, Medicilon and Binhui Biopharmaceutical (Binui Bio) announced a strategic collaboration. The two parties will work together to jointly explore the possibilities in cutting-edge fields such as oncolytic viruses, nucleic acid drugs and protein drugs. Gather and Work Together to Create Advantages Facilitate the Research and Development of Oncolytic Viruses, Nucleic Acids, Proteins and Other Drugs As a one-stop biopharmaceutical comprehensive preclinical R&D service CRO, Medicilon has been developing and accumulating for 20 years, always adhering to the spirit of innovation, and has successfully constructed bi/multi-specific antibodies, ADCs , mRNA vaccines , small nucleic acid drugs , PROTAC , and CGT technical service platform that have helped 421 INDs obtain clinical approval. It is this outstanding achievement that has earned Medicilon wide recognition in the industry and laid a solid foundation f...

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A Nickel-Catalyzed Reductive Alkylation of Aryl Bromides and Chlorides for Sp3-Sp2 Bond Formation

In 2012, a nickel-catalyzed reductive alkylation method of aryl bromides and chlorides was reported. Under the optimized conditions, a variety of aryl and vinyl bromides as well as active aryl chloride can be reductively coupled with alkyl bromides in high yields. The protocols were highly functional-group tolerant and the reactions were not air or moisture sensitive. The reaction showed different chemoselectivity than conventional cross-coupling reactions. Substrates bearing both anelectrophilic and nucleophilic carbon resulted in selective coupling at the electrophilic carbon (R-X) and no reaction occurred at the nucleophilic carbon (R-[M]). The 2010 Nobel Prize in Chemistry was awarded for the Pd-catalyzed cross-coupling, and in the past decade the progress in cross-coupling has not only had a significant impact on academic research but has also influenced the industrial synthetic application. The transition-metal-catalyzed union of nucleophilic organo-boronic acids with elect...

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What is Toxicokinetics?

Toxicokinetics is essentially the study of “how a substance gets into the body and what happens to it in the body”. Four processes are involved in toxicokinetics. The study of the kinetics (movement) of chemicals was originally conducted with pharmaceuticals and thus the term pharmacokinetics became commonly used. In addition, toxicology studies were initially conducted with drugs. However, the science of toxicology has evolved to include environmental and occupational chemicals as well as drugs. Toxicokinetics is thus the appropriate term for the study of the kinetics of all toxic substances. Frequently the terms toxicokinetics , pharmacokinetics , or disposition may be found in the literature to have the same meaning. Disposition is often used in place of toxicokinetics to describe the time-course of movement of chemicals through the body (that is, how does the body dispose of a xenobiotic?). The disposition of a toxicant along with its’ biological reactivi...

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