In silico evaluation of the pharmacological potential of natural compounds

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This video is a record of geneXplain's live webseminar "In silico evaluation of the pharmacological potential of natural compounds" that was given on November 24th, 2020, by our invited speaker Prof. Vladimir Poroikov from the Institute of Biomedical Chemistry (IBMC), Moscow, Russia.

Webseminar brief summary

Natural products represent the auspicious source of medicines with improved safety and efficacy. In addition to their inherent biological activities provided as a “Gift of Mother Nature,” they exhibit substantial structural diversity that creates excellent opportunities to discover new pharmaceutical agents.

Medicinal plants are used in the traditional medicines of many countries. For example, Traditional Indian Medicine Ayurveda is one of the world’s oldest medical sciences, with a history that goes back more than 5,000 years. The knowledge of Ayurveda has at various times had an impact on many branches of medicine, and it continues to retain its prominent position nowadays, being officially recognized by the World Health Organization (WHO) and enjoying great popularity in the US, Germany, Italy, and the Netherlands.

The existing databases on natural products used in traditional medicines do not contain exhaustive information about natural products’ pharmacological potential.

At the webseminar Prof. Vladimir Poroikov demonstrated how new medical indications for medicinal plants’ phytoconstituents may be identified by applying bio- and chemoinformatics methods.

Several case studies were considered, including:

Revealing medicinal plants useful for the comprehensive management of epilepsy and associated comorbidities.
Repositioning of Achyranthes Aspera as an antidepressant agent.
Discovery of the molecular mechanism of N-acetyl aspartate anti-aging action.
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