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To identify most promising seed and optimize it strategically with minimum syntheses, docking structure to target protein is most helpful to interpret structure-activity relations and to consider the future potential of each compound by structural modification which may lead to higher activity and selectivity to the target protein.
IMMD has established a rational drug discovery method using proprietary software system for rational drug design based on 3-D structures of target proteins. The core of our technology is a conformation-flexible automatic docking method which the founder of IMMD has succeeded to develop first in the world in 1992. Since our automatic docking method is very accurate and rapid, numerous qualified drug seeds can be found by virtual screening based on this automatic docking method from a vast number of compounds in databases.
As a small number of promising compounds are effectively selected by this virtual screening, the method is well-suited with cell-based assay to find drug seeds with new structures active to intact target protein. Moreover, the method is useful for strategic optimization starting from one or two promising seeds with minimum compound syntheses based on estimated docking structure to the target. As a result, this method realized rational drug discovery with high success rate, high speed, minimum syntheses and low cost.
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IIMMD has achieved several successes in developing excellent clinical/preclinical candidates. We offer out-licensing opportunities.
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IMMD's In-House Drug Discovery Program
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Compound
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Mechanism (Target)
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Characteristics
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Possible Indications
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Route of admin.
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Stage
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| IMD-1041 |
IKKβ inhibitor
(prodrug of IMD-0354) |
Anti-inflammatory
Anti-allergy
Anti-remodeling
Wide safety margin |
COPD
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Oral
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Ph2a
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Interstitial Cystitis
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Oral
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Ph1
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| IMD-2560 |
IKKβ inhibitor
(prodrug of IMD-0560) |
Anti-inflammatory
Potent suppression of IL-6 production
Wide safety margin |
RA,
Osteoporosis
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Oral
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Ph1
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| IMD-0354 |
IKKβ inhibitor |
Anti-inflammatory
Anti-allergy
Anti-microbial
Wide safety margin |
Acne, Atopic Dermatitis
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Ointment
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Ph1
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| IMD-0560 |
IKKβ inhibitor |
Anti-inflammatory
Potent suppression of IL-6 production
Wide safety margin |
Osteoarthritis,
RA
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Arthritic injection
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Pharmacology
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| IMD-4482 |
PAI-1 inhibitor |
Anti-inflammatory
Anti-remodeling
Excellent distribution to brain
Wide safety margin |
Alzheimer's disease
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Oral
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Preclinical
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| IMD-4852 |
PAI-1 inhibitor |
Anti-inflammatory
Wide safety margin |
Thrombosis
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Oral
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Preclinical
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Collaborative drug discovery research program with pharmaceutical companies usually last 2-5 years funded by the partner. The target protein, starting point, endpoint and criteria can be flexibly settled and there can be various collaboration schemes. For example, IMMD discovers preclinical candidates or leads which satisfy the criteria given by the partner starting from protein modeling/crystal structure of target protein, or IMMD discovers preclinical candidates/leads starting from drug seeds (compounds with targeted in vitro activity) which have been identified by IMMD in advance. The partner will be responsible for further development. Milestone and royalty will be paid by the partner to IMMD according to the agreed schedule.
IMMD has successful track record for collaborative drug discovery research with Japanese pharmaceutical companies. We seek for additional partners.
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IMMD provides high quality drug seeds against any target selected by clients with information on binding mode and SAR among dozens of congeneric compounds.
IMMD's seeds are characterized by:
- Small molecular weight
- Drug-likeness structure
- Good docking structure
- Favorable interactions(H-bond etc) with target
- Extent of occupying the bottom of the binding pocket
- Easiness of chemical syntheses
- upto 5 steps without chiral center
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KeyMolnet is the world's first bioinformatics system which systemizes and consolidates information on various important biological subjects such as molecules, biological phenomena, diseases, drugs and gene mutations etc. using the proprietary linkage technology developed by IMMD.
KeyMolnet enables users to search and investigate the
relationship between molecules and diseases, molecules
and drugs, diseases and drugs etc. in connection with
the molecular network generated in real time. It can
also serve as a very useful tool to analyze the experimental
data from DNA microarrays and proteomics in relation
to the molecular network.
KeyMolnet is an indispensable platform for drug discovery and development as well as for other life science research. KeyMolnet has been licensed to pharmaceutical companies, research institutes and universities for annual subscription fees in worldwide.
Click here for brochures and Flash demo of KeyMolnet.
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