Computational Explorations and Interpretation of Bonding in Metallopharmaceutical for a Thorough Understanding at the Quantum Level

Abstract

Metallopharmaceuticals are effective remedies and used to treat microbial infections. Generally, these drugs were derived from metal-organic frameworks and highly effective to cure many different types of microbial toxicities. In these metallopharmaceuticals, the moieties of the ligands governed novel medicinal properties. Computational explorations (simulations, modeling, and analysis) are the modern tools that explore the possibilities to design novel drugs, analyse the key and essential components required as per the theme of sustainable chemical engineering. To get information at the quantum level, there is an urgent need to explore the associated dynamics that existed in metallopharmaceuticals. These aforementioned strategies will assist to have sustainable chemical engineering models.