Computational Approaches to Discover Novel Phytochemical Inhibitors Against Novel Coronavirus (Sars-CoV-2)
Raghunath Satpathy · Apple Academic Press eBooks · 2024
Plants are considered large sources of molecules so it remains in a central position in the drug discovery process to find the appropriate lead molecules. The major aspect is to explore the therapeutic potential of such molecules from the source plants and hence can be used in the disease-healing process. In the present scenario, the infection of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has created a global pandemic of coronavirus disease 2019 (COVID-19). Since no approved drugs are available to date, hence finding a potential plant-based molecule might be a convenient way to combat pathogenic viruses. Plant compound-based herbal therapy is routinely used for the treatment of viral diseases. Several plant species containing metabolites have been proposed as potential anti-SARS-CoV-2 agents. In the core drug discovery methods, the computer-aided drug design (CADD) process plays a crucial role due to its less time-consuming and low-cost nature. This chapter briefly describes major in-silico approaches in drug design, as well as the recent update of research, that have done so far to propose a potential phytochemical as the potential anti-SARS-CoV-2 agent.