Amit Mohan
ABSTRACT
A pivotal mediator in the development of hypertension and related cardiovascular diseases is the renin-angiotensin system (RAS). This plays a key role in controlling the blood pressure and maintaining a balance between fluid and salt. Angiotensin-converting enzyme 2 (ACE2) is a part of RAS system and is a potential therapeutic target for cardiovascular disease and hypertension. ACE2 inhibitors are appropriate drugs for the treatment of cardiovascular diseases and related pathophysiology. The Candesartan analogs demonstrated excellent pharmacokinetic properties with strong gastrointestinal absorption, orally bioavailable and less toxic in in silico ADME and drug-like prediction. Screened Candesartan analogs were docked with binding pocket of ACE2 protein using molecular docking tool, which show low binding affinity. The findings of this work affirm the importance of these analogs as promising lead candidates for the treatment of cardiovascular diseases that could assist medicinal chemists and pharmaceutical practitioners in further developing and synthesizing more potent candidate drugs.
Keywords: Molecular docking, ADME/Tox, angiotensin-converting enzyme 2, renin-angiotensin system, candesartan