In Silico Screening of Semi-Synthesized Compounds as Potential Inhibitors for SARS-CoV-2 Papain-like Protease: Pharmacophoric Features, Molecular Docking …

MS Alesawy, EB Elkaeed, AA Alsfouk, AM Metwaly… - Molecules, 2021 - mdpi.com
Papain-like protease is an essential enzyme in the proteolytic processing required for the
replication of SARS-CoV-2. Accordingly, such an enzyme is an important target for the …

Molecular docking of potential SARS-CoV-2 papain-like protease inhibitors

D Li, J Luan, L Zhang - Biochemical and biophysical research …, 2021 - Elsevier
Abstract SARS-CoV-2 papain-like protease is considered as an important potential target for
anti-SARS-CoV-2 drug discovery due to its crucial roles in viral spread and innate immunity …

Molecular docking studies, molecular dynamics and ADME/tox reveal therapeutic potentials of STOCK1N-69160 against papain-like protease of SARS-CoV-2

OO Elekofehinti, O Iwaloye, SS Josiah, AO Lawal… - Molecular Diversity, 2021 - Springer
SARS-CoV-2 is a new strain of Coronavirus that caused the pneumonia outbreak in Wuhan,
China and has spread to over 200 countries of the world. It has received worldwide attention …

In silico analysis of SARS-CoV-2 papain-like protease potential inhibitors

SA Elseginy, MM Anwar - RSC advances, 2021 - pubs.rsc.org
The emergent outbreak caused by severe acute respiratory syndrome coronavirus 2
continues spreading and causing huge social and economic disruption. Papain-like …

Discovery of potential SARS-CoV-2 papain-like protease natural inhibitors employing a multi-phase in silico approach

EB Elkaeed, AM Metwaly, MS Alesawy, AM Saleh… - Life, 2022 - mdpi.com
As an extension of our research against COVID-19, a multiphase in silico approach was
applied in the selection of the three most common inhibitors (Glycyrrhizoflavone (76) …

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 …

Inhibition of SARS-CoV-2 main protease 3CLpro by means of α-ketoamide and pyridone-containing pharmaceuticals using in silico molecular docking

AO Elzupir - Journal of molecular structure, 2020 - Elsevier
The coronavirus disease infections (COVID-19) caused by a new type of coronavirus (SARS-
CoV-2) have been emerging in the entire world. Therefore, it is necessary to find out …

Multi-step in silico discovery of natural drugs against COVID-19 targeting main protease

EB Elkaeed, FS Youssef, IH Eissa, H Elkady… - International Journal of …, 2022 - mdpi.com
In continuation of our antecedent work against COVID-19, three natural compounds, namely,
Luteoside C (130), Kahalalide E (184), and Streptovaricin B (278) were determined as the …

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 …

[HTML][HTML] Discovery of human coronaviruses pan-papain-like protease inhibitors using computational approaches

MA Alamri, MT ul Qamar, MU Mirza… - Journal of …, 2020 - Elsevier
The papain-like protease (PL pro) is vital for the replication of coronaviruses (CoVs), as well
as for escaping innate-immune responses of the host. Hence, it has emerged as an …