Innovative Approach of High-Throughput Screening in the Drug Discovery Quest for Chronic Bronchitis Treatment

Abstract

Chronic bronchitis (CB) is a challenging condition that worsens over time. Patients continue to experience an abundance of symptoms despite their best attempts to manage them. The etiology of CB is goblet cell overproduction and mucus hypersecretion, which aggravates airflow obstruction by luminal blockage of small airways, epithelial remodeling and modification of airway surface tension that predisposes to collapse. Larger randomized controlled trials are required to validate the pilot data that are currently accessible and assess the treatment’s durability as therapies are still in the early stages of clinical development. To overcome the prevailing increase in CB with the rise in air pollution globally, this study proposes a de novo drug discovery candidate for the effective treatment of CB. With the aid of cutting-edge technology of high-throughput screening, a phytochemical, apigenin, has been administered to target the Beta-2 adrenergic receptor protein and utilized as an exemplary ligand to target the discovery of a suitable drug candidate for Beta-2 adrenergic receptor protein. The drug likeness scores, no evident toxicity and binding affinity –9.092 kcal/mol the “CHEMBL294878” proves to be a potential drug candidate discovered for CB. A therapeutic drug specifically meant to treat CB can be developed with the help of the computational data provided by the research presented in this study.