Sechenov University advances drug repurposing via molecular docking for three new indications
核心洞察
Researchers at Sechenov University (搜索) are developing a drug repurposing methodology that uses molecular docking to identify new targets for well-known molecules with established safety profiles.
Three existing drugs are under study at the Neulybin Institute of Pharmacy for potential new indications in coloproctology, dentistry, and dermatology.
Reformulation into gels and creams using solid dispersion technology with polymer matrices aims to improve solubility and bioavailability for topical application.
Researchers at Sechenov University (搜索) are developing a drug repurposing methodology — an approach that identifies new targets in the body for well-known molecules whose safety has already been established. To achieve this, they use molecular docking, a form of computer modelling that predicts a substance's ability to bind to a receptor and assesses the strength of the interaction.
Three such drugs are currently being studied at the university's Neulybin Institute of Pharmacy, which may receive new indications in the future, according to the university's press service.
Three Candidate Indications
One of the drugs, currently used in cardiology, is planned for use in coloproctology — for treating anorectal fissures (搜索) and promoting wound healing after haemorrhoid removal. A second drug, also from cardiology practice, is being proposed as an antispasmodic for gum treatment. A third compound, originally intended for endocrine disorders, is to be recommended for atopic dermatitis (搜索).
Reformulation for Topical Delivery
Each new indication may require a change in formulation. Instead of tablets, the scientists are creating gels and creams, which are better suited for topical application. To improve the solubility and bioavailability of the active ingredients, solid dispersion technology with polymer matrices is being used.
Next Steps Toward Clinical Use
The next phase will involve clinical trials of the three repurposed drugs with volunteer participants. One of them, in particular, is planned to be transferred to Sechenov University (搜索)'s Clinic of Coloproctology and Minimally Invasive Surgery.
After the clinical trials are completed, the drugs must be registered in accordance with the established procedure. Only then will they be available for use in clinical practice, the university said. Timelines for the start of clinical trials and registration have not been specified.