A5012825493- Computational Drug Discovery Methods
- Gene Regulatory Network Analysis
- Synthesis and biological activity
- Cholinesterase and Neurodegenerative Diseases
- Hippo pathway signaling and YAP/TAZ
- Free Radicals and Antioxidants
- Viral Infectious Diseases and Gene Expression in Insects
Volgograd State Medical University
2019-2020
Nowadays cardiovascular diseases are the main cause of death among population around word. The development new drugs, giving a possibility to normalize blood pressure, is promising direction in field pharmacy and medicine. Now inhibitors angiotensinconverting enzyme (ACE) widely adopted for treatment hypertension chronic heart failure. principle action ACE based on blocking conversion angiotensin I into II, which mediates vasodilation. aim work selection methods lisinopril interaction with...
Computer simulation is a rapidly developing method of scientific researches. Currently, computational experiments are being conducted in various fields human activity, including medical and pharmaceutical. This article discusses the latest achievements approaches computer modeling cell wall, as well three-dimensional reliable system that will help scientists to study processes. In particular, by such model, be able mechanisms diseases action drugs.
The article considers the study in silico of affinity 3-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-4(3H)-quinazolinone (VMA-10-21 compound) to benzodiazepine binding site GABA А receptor by molecular docking method. computational experiment was carried out using a set Autodock programs. As result, method for predicting simulated compounds A developed. highest correlation coefficient between pKi value and average energy (0.54) obtained amino acids Tyr 58 159. predicted Ki VMA-10-21 compound is...