In Silico molecular docking and dynamic analysis of natural compounds against major non-structural proteins of SARS-COV-2

MU Rehman, A Ali, R Ansar, A Arafah… - Journal of …, 2023 - Taylor & Francis
COVID-19 has infected millions and significantly affected the global economy and
healthcare systems. Despite continuous lockdowns, symptomatic management with …

Molecular docking and dynamics study of natural compound for potential inhibition of main protease of SARS-CoV-2

S Mahmud, MAR Uddin, M Zaman… - Journal of …, 2021 - Taylor & Francis
Newly emerged SARS-CoV-2 made recent pandemic situations across the globe is
accountable for countless unwanted death and insufferable panic associated with co …

In silico prediction of natural compounds as potential multi-target inhibitors of structural proteins of SARS-CoV-2

J Rani, A Bhargav, FI Khan… - Journal of …, 2022 - Taylor & Francis
The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has caused a colossal
loss to human health and lives and has deeply impacted socio-economic growth …

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 …

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 …

[HTML][HTML] In silico molecular docking: Evaluation of coumarin based derivatives against SARS-CoV-2

SK Chidambaram, D Ali, S Alarifi… - Journal of Infection and …, 2020 - Elsevier
Background The unique anthropological coronavirus which has been titled as SARS-CoV-2
was originally arisen in late 2019 in Wuhan, China affecting respiratory infection named as …

Identification of potential bioactive natural compounds from Indonesian medicinal plants against 3-chymotrypsin-like protease (3CLpro) of SARS-CoV-2: molecular …

WE Prasetyo, H Purnomo, M Sadrini… - Journal of …, 2023 - Taylor & Francis
An outbreak of SARS-CoV-2 (COVID-19) has caused a global health emergency, resulting
in hundreds of millions of infections and millions of deaths globally since December 2019 …

Anti-HIV-drug and phyto-flavonoid combination against SARS-CoV-2: a molecular docking-simulation base assessment

SS Swain, SR Singh, A Sahoo… - Journal of Biomolecular …, 2022 - Taylor & Francis
At the health emergence, no such potent prophylactic therapy is available to control the
deadly emerged Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2) …

Screening of phytochemicals as potent inhibitor of 3-chymotrypsin and papain-like proteases of SARS-CoV2: an in silico approach to combat COVID-19

A Swargiary, S Mahmud, MA Saleh - Journal of Biomolecular …, 2022 - Taylor & Francis
COVID-19 and its causative organism SARS-CoV2 that emerged from Wuhan city, China
have paralyzed the world. With no clinically approved drugs, the global health system is …

Identification of potential phytochemicals from Citrus Limon against main protease of SARS-CoV-2: molecular docking, molecular dynamic simulations and quantum …

J Khan, SA Sakib, S Mahmud, Z Khan… - Journal of …, 2022 - Taylor & Francis
The outbreak of coronavirus disease (COVID-19) caused by a novel RNA virus emerged at
the end of 2019. Most of the patient's symptoms are mild to moderate, and influenza, acute …