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Beta2 adrenoligands

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Beta2 adrenoceptor ligands library

The library contains 9,298 diverse compounds selectively targeting beta2 adrenoceptors.

Beta-2 adrenoceptors are promising and commonly used target in drug discovery and development, particularly in development of therapeutics against respiratory and cardiovascular diseases. These receptors are primarily located in the smooth muscles of the bronchi, blood vessels, and uterus, where they mediate relaxation and dilation when activated. Functionally, beta-2 adrenoceptors are involved in bronchodilation, vasodilation, and the relaxation of uterine muscles, making them essential targets in managing asthma, COPD, and preterm labor. Dysregulation of these receptors can lead to various pathological conditions, including asthma exacerbations and hypertension. Consequently, beta-2 agonists, which stimulate these receptors, are widely used in inhalers for asthma and COPD to relieve bronchoconstriction. In drug development, targeting beta-2 adrenoceptors continues to be a focus for creating more selective and effective treatments with fewer side effects, particularly in the context of respiratory and cardiovascular therapies.

The main classes of drugs affecting beta-2 adrenoceptors include beta-2 agonists and beta blockers.

Beta-2 Agonists specifically stimulate beta-2 adrenoceptors, leading to bronchodilation and vasodilation. They are subdivided into short-acting beta-2 agonists (SABAs) used for quick relief in asthma attacks, and long-acting beta-2 agonists (LABAs)l, used for long-term control in conditions like asthma and chronic obstructive pulmonary disease (COPD).

Beta Blockers: While mainly targeting beta-1 adrenoceptors in the heart, some non-selective beta blockers also affect beta-2 adrenoceptors. These drugs are used in treating hypertension, angina, and some cardiac arrhythmias but can exacerbate asthma or COPD due to their non-selective action.

Selectivity in targeting beta-2 adrenoceptors is of paramount importance, especially in the treatment of respiratory diseases. High selectivity ensures that the drug primarily affects the respiratory system (bronchial muscles), minimizing unwanted cardiac effects that could occur if beta-1 adrenoceptors in the heart were also significantly stimulated. This selectivity is crucial for patient safety, particularly for those with pre-existing cardiovascular conditions. For instance, selective beta-2 agonists are preferred in asthma management to avoid exacerbating heart issues, whereas non-selective beta blockers are generally avoided in asthmatic patients due to the risk of bronchoconstriction.

All compounds in the ChemDiv’s collection exert high level of selectivity and affinity toward beta2 adrenoceptors, and presented with several different structural scaffolds providing the diversity score 0.68.

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