Identification of potential inhibitors of SARS-CoV-2 main protease and spike receptor from 10 important spices through structure-based virtual screening and …

D Sen, P Debnath, B Debnath, S Bhaumik… - Journal of …, 2022 - Taylor & Francis
The outbreak of novel coronavirus disease (COVID-19) caused by SARS-CoV-2 poses a
serious threat to human health and world economic activity. There is no specific drug for the …

Identification of new anti-nCoV drug chemical compounds from Indian spices exploiting SARS-CoV-2 main protease as target

Umesh, D Kundu, C Selvaraj, SK Singh… - Journal of …, 2021 - Taylor & Francis
Abstract The 2019-novel coronavirus (nCoV) has caused a global health crisis by causing
coronavirus disease-19 (COVID-19) pandemic in the human population. The unavailability …

In silico investigation of spice molecules as potent inhibitor of SARS-CoV-2

J Rout, BC Swain, U Tripathy - Journal of Biomolecular Structure …, 2022 - Taylor & Francis
The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is a novel infectious
disease that is in rapid growth. Several trials are going on worldwide to find a solution for …

Identification of potential natural inhibitors of SARS-CoV2 main protease by molecular docking and simulation studies

S Gupta, AK Singh, PP Kushwaha… - Journal of …, 2021 - Taylor & Francis
Coronaviruses are contagious pathogens primarily responsible for respiratory and intestinal
infections. Research efforts to develop antiviral agents against coronavirus demonstrated …

[HTML][HTML] Identification of natural compounds as potent inhibitors of SARS-CoV-2 main protease using combined docking and molecular dynamics simulations

DS Jairajpuri, A Hussain, K Nasreen… - Saudi Journal of …, 2021 - Elsevier
Abstract Coronavirus disease 2019 (COVID-19) has emerged from China and globally
affected the entire population through the human-to-human transmission of a newly …

Medicinal plant compounds as promising inhibitors of coronavirus (COVID-19) main protease: an in silico study

N Jamali, EH Soureshjani, GR Mobini… - Journal of …, 2022 - Taylor & Francis
Abstract The novel Coronavirus (COVID-19) has spread rapidly across the globe and has
involved more than 215 countries and territories. Due to a lack of effective therapy or …

Structure-based virtual screening to discover potential lead molecules for the SARS-CoV-2 main protease

A Gahlawat, N Kumar, R Kumar… - Journal of chemical …, 2020 - ACS Publications
The COVID-19 disease is caused by a new strain of the coronavirus family (SARS-CoV-2),
and it has affected at present millions of people all over the world. The indispensable role of …

An investigation into the identification of potential inhibitors of SARS-CoV-2 main protease using molecular docking study

S Das, S Sarmah, S Lyndem… - Journal of Biomolecular …, 2021 - Taylor & Francis
A new strain of a novel infectious disease affecting millions of people, caused by severe
acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has recently been declared as a …

Molecular docking and dynamics study to explore phytochemical ligand molecules against the main protease of SARS-CoV-2 from extensive phytochemical datasets

S Mahmud, MA Mita, S Biswas, GK Paul… - Expert Review of …, 2021 - Taylor & Francis
Background The high transmission and pathogenicity of SARS-CoV-2 has led to a pandemic
that has halted the world's economy and health. The newly evolved strains and scarcity of …

Molecular modeling of isolated phytochemicals from Ocimum sanctum towards exploring potential inhibitors of SARS coronavirus main protease and papain-like …

KK Varshney, M Varshney, B Nath - Available at SSRN 3554371, 2020 - papers.ssrn.com
Background: In December 2019, there was a cluster of pneumonia cases in China.
Investigations found that it was caused by a previously unknown virus, now named the 2019 …