Methodology-centered review of molecular modeling, simulation, and prediction of SARS-CoV-2

K Gao, R Wang, J Chen, L Cheng, J Frishcosy… - Chemical …, 2022 - ACS Publications
Despite tremendous efforts in the past two years, our understanding of severe acute
respiratory syndrome coronavirus 2 (SARS-CoV-2), virus–host interactions, immune …

Coronavirus disease-2019 (COVID-19): an updated review

M Rudrapal, SJ Khairnar, LB Borse… - Drug research, 2020 - thieme-connect.com
The current outbreak of novel Coronavirus Disease-2019 (COVID-19) caused by severe
acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is a major pandemic situation and …

Potential of Plant Bioactive Compounds as SARS‐CoV‐2 Main Protease (Mpro) and Spike (S) Glycoprotein Inhibitors: A Molecular Docking Study

TE Tallei, SG Tumilaar, NJ Niode, fnm Fatimawali… - …, 2020 - Wiley Online Library
Since the outbreak of the COVID‐19 (coronavirus disease 19) pandemic, researchers have
been trying to investigate several active compounds found in plants that have the potential to …

Recognition of natural products as potential inhibitors of COVID-19 main protease (Mpro): In-silico evidences

RR Narkhede, AV Pise, RS Cheke… - Natural products and …, 2020 - Springer
Abstract SARS-CoV-2 (2019-nCoV) emerged in 2019 and proliferated rapidly across the
globe. Scientists are attempting to investigate antivirals specific to COVID-19 treatment. The …

Optimization and evaluation of propolis liposomes as a promising therapeutic approach for COVID-19

H Refaat, FM Mady, HA Sarhan, HS Rateb… - International journal of …, 2021 - Elsevier
The present work aimed to develop an optimized liposomal formulation for enhancing the
anti-viral activity of propolis against COVID-19. Docking studies were performed for certain …

[HTML][HTML] Antiviral peptides against the main protease of SARS-CoV-2: A molecular docking and dynamics study

S Mahmud, S Biswas, GK Paul, MA Mita… - Arabian journal of …, 2021 - Elsevier
The recent coronavirus outbreak has changed the world's economy and health sectors due
to the high mortality and transmission rates. Because the development of new effective …

In silico screening of phytopolyphenolics for the identification of bioactive compounds as novel protease inhibitors effective against SARS-CoV-2

M Rudrapal, AR Issahaku, C Agoni… - Journal of …, 2022 - Taylor & Francis
Due to the unavailability specific drugs or vaccines (FDA approved) that can cure COVID-19,
the development of potent antiviral drug candidates/therapeutic molecules against COVID …

Molecular docking identification for the efficacy of some zinc complexes with chloroquine and hydroxychloroquine against main protease of COVID-19

RK Hussein, HM Elkhair - Journal of Molecular Structure, 2021 - Elsevier
Vast amount of research has been recently conducted to discover drugs for efficacious
treatment of corona virus disease 2019 (COVID-19). The ambiguity about using …

Promising antivirals for PLpro of SARS-CoV-2 using virtual screening, molecular docking, dynamics, and MMPBSA

R Kumari, V Kumar, P Dhankhar… - Journal of Biomolecular …, 2023 - Taylor & Francis
The recent pandemic of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)
infection (COVID-19) is a viral respiratory disease that has been spread all over the globe …

Cheminformatics-based identification of potential novel anti-SARS-CoV-2 natural compounds of African origin

SK Kwofie, E Broni, SO Asiedu, GB Kwarko, B Dankwa… - Molecules, 2021 - mdpi.com
The coronavirus disease 2019 (COVID-19) pandemic caused by the severe acute
respiratory syndrome virus 2 (SARS-CoV-2) has impacted negatively on public health and …