Coronavirus infection has become a common cause of sickness and death worldwide. Many drugs have been studied for the treatment of SARS-CoV-2 infections, and vaccines are injected to boost the immune system and safeguard people around the world. Many drug-like compounds are under clinical trials and have the potential to cure respiratory and viral diseases. Natural extracts and herbal products have been extensively used in traditional Chinese medicine and Indian Ayurveda. Natural medicines are more acceptable and are considered cheap and safe for COVID-19 treatment. This comprehensive chapter highlights in silico techniques for drug design and discovery using natural products against coronavirus infection. Especially computational studies of SARS-CoV-2 drugs have been explained. The effects of the mentioned natural metabolites repurposed for coronavirus diseases, especially for SARS-CoV-2, should be evaluated more by clinical investigation so that we may be able to develop potential drugs for most challenging respiratory diseases, especially SARS-CoV-2.