Repurposing drugs for treatment of SARS-CoV-2 infection: computational design insights into mechanisms of action

S Kandwal, D Fayne - Journal of Biomolecular Structure and …, 2022 - Taylor & Francis
The COVID-19 pandemic has negatively affected human life globally. It has led to economic
crises and health emergencies across the world, spreading rapidly among the human …

Fast identification of possible drug treatment of coronavirus disease-19 (COVID-19) through computational drug repurposing study

J Wang - Journal of chemical information and modeling, 2020 - ACS Publications
The recent outbreak of novel coronavirus disease-19 (COVID-19) calls for and welcomes
possible treatment strategies using drugs on the market. It is very efficient to apply computer …

Expediting the drug discovery for ideal leads against SARS-CoV-2 via molecular docking of repurposed drugs

A Sharma, M Kaur, P Yadav, G Singh… - Journal of Biomolecular …, 2023 - Taylor & Francis
Abstract SARS-CoV-2, the novel coronavirus spreading worldwide urges the need to
repurpose drugs that can quickly enter clinical trials to combat the on-going global …

Discovering potent inhibitors against the Mpro of the SARS-CoV-2. A medicinal chemistry approach

A Mehmood, S Nawab, Y Wang, AC Kaushik… - Computers in Biology …, 2022 - Elsevier
The global pandemic caused by a single-stranded RNA (ssRNA) virus known as the severe
acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is still at its peak, with new cases …

Drug repurposing against SARS-CoV-2 using computational approaches

S Kumar, S Kovalenko, S Bhardwaj, A Sethi… - Drug Discovery …, 2022 - Elsevier
The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) pandemic has
generated a critical need for treatments to reduce morbidity and mortality associated with …

Integrated docking and enhanced sampling-based selection of repurposing drugs for SARS-CoV-2 by targeting host dependent factors

A Kumawat, S Namsani, D Pramanik… - Journal of …, 2022 - Taylor & Francis
Since the onset of global pandemic, the most focused research currently in progress is the
development of potential drug candidates and clinical trials of existing FDA approved drugs …

[HTML][HTML] Exploiting cheminformatic and machine learning to navigate the available chemical space of potential small molecule inhibitors of SARS-CoV-2

A Kumar, S Loharch, S Kumar, RP Ringe… - Computational and …, 2021 - Elsevier
The current life-threatening and tenacious pandemic eruption of coronavirus disease in
2019 (COVID-19) has posed a significant global hazard concerning high mortality rate …

Computational guided approach for drug repurposing against SARS-CoV-2

J Anand, T Ghildiyal, A Madhwal, R Bhatt… - Future …, 2021 - Taylor & Francis
Background: In the current SARS-CoV-2 outbreak, drug repositioning emerges as a
promising approach to develop efficient therapeutics in comparison to de novo drug …

Repurposing of chemotherapeutics to combat COVID-19

S Nandi, BS Nayak, MK Khede… - Current Topics in …, 2022 - ingentaconnect.com
Severe acute respiratory syndrome corona virus 2 (SARS-CoV-2) is a novel strain of SARS
coronavirus. The COVID-19 disease caused by this virus was declared a pandemic by the …

Identification of promising drug candidates against NSP16 of SARS-CoV-2 through computational drug repurposing study

V Vijayan, P Pant, N Vikram, P Kaur… - Journal of …, 2021 - Taylor & Francis
The recent outbreak of the SARS-CoV-2 virus leading to the disease COVID 19, a global
pandemic has resulted in an unprecedented loss of life and economy worldwide. Hence …