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Updated: Dec 5, 2025

Pharmacophore Modeling for Targets with Extensive Ligand Libraries: A Case Study on SARS-CoV-2 Mpro
Published on: September 26, 2025
Pharmacological insight into potential therapeutic agents for the deadly Covid-19 pandemic
Ranjana Bhandari1, Garima Khanna1, Anurag Kuhad1
1Pharmacology Research Laboratory, University Institute of Pharmaceutical Sciences, UGC-Centre of Advanced Study, Panjab University, Chandigarh, 160 014, India.
Abstract:
Coronaviruses are pleomorphic, enveloped, or spherical viruses, which have a size ranging from 80 to 120 nm. These viruses act on receptors that cause the triggering of fusion. Coronaviruses were first described after cultivation from patients with common colds by Tyrell and Bynoe in 1966. There are various subtypes of coronavirus, 7 out of these can cause infection in human beings. The Alpha subtype is responsible for mild infection showing symptoms or infection without any prevailing symptoms. On the other hand, the beta subtype is responsible for very serious diseases leading to fatality. The lineage of this novel SARS-CoV-2 falls under the beta lineage of the beta coronavirus which has been observed to have a relation to the MERS and SARS coronavirus. In the Huanan market selling seafood, the transition of this novel virus in humans from animals has occurred. It has the potential to be the cause of widespread fatality amongst the people of the globe. On August 16, 2020, the World Health Organisation had reported 2,1294,845 cases which are confirmed to date out of which 413,372 deaths have occurred. Currently, no targeted antiviral vaccines or drugs to fight against COVID-19 infection have been approved for use in humans. This pandemic is fast emerging and drug repurposing is the only ray of hope which can ensure quick availability. Vaccine development is progressing each day with various platforms such as DNA, Live Attenuated Virus, Non-Replicating Viral Vector, Protein Subunit, and RNA, being utilized for the development. COVID-19 attacks the immune system of the host & this can result in a cytokine storm. As a result, various herbal agents both acting as antivirals and immunomodulatory can also be used. Convalescent Plasma Therapy and Mesenchymal Stem Cell therapy are also being explored as a plausible therapeutic. There remains a considerable unmet need for therapeutics to be addressed. The development and availability of accessible and efficient therapy are essential for the treatment of patients. This review discusses the epidemiology, pathogenesis, the tale of origin, and transmission of COVID-19 or Sars-Cov2 virus and gives evidence of potential therapeutic agents that can be explored to cast away this pandemic.
Insights
Coronaviruses, including SARS-CoV-2, cause severe disease. This review explores COVID-19 origins, transmission, and potential therapeutics like drug repurposing and novel therapies to combat the pandemic.
Area of Science:
- Virology
- Epidemiology
- Immunology
Background:
- Coronaviruses are enveloped viruses, with 7 subtypes infecting humans. SARS-CoV-2, a beta coronavirus, is linked to MERS and SARS, causing severe, fatal diseases.
- The novel SARS-CoV-2 virus, originating from animal-to-human transmission at the Huanan seafood market, has led to a global pandemic with millions of cases and deaths.
- Currently, no specific antiviral vaccines or drugs are approved for COVID-19, highlighting an urgent need for effective treatments.
Purpose of the Study:
- To review the epidemiology, pathogenesis, origin, and transmission of the COVID-19 (SARS-CoV-2) virus.
- To provide evidence for potential therapeutic agents to combat the ongoing pandemic.
- To highlight the unmet need for accessible and efficient COVID-19 therapies.
Main Methods:
- Literature review of scientific publications on coronaviruses, SARS-CoV-2, and COVID-19.
- Analysis of epidemiological data and reported cases/deaths.
- Exploration of existing and emerging therapeutic strategies, including drug repurposing, vaccine development platforms, and novel therapies.
Main Results:
- SARS-CoV-2, a beta coronavirus, has caused a devastating global pandemic.
- Drug repurposing and vaccine development (DNA, RNA, viral vector, etc.) are progressing.
- Emerging therapies include herbal agents, Convalescent Plasma Therapy, and Mesenchymal Stem Cell therapy.
Conclusions:
- There is a critical need for accessible and effective therapeutics for COVID-19.
- Drug repurposing and ongoing vaccine development offer hope for managing the pandemic.
- Further research into novel therapeutic agents is essential to address the unmet medical needs.
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