Elucidating the binding mechanism of SARS-CoV-2 NSP6-TBK1 and structure-based designing of phytocompounds inhibitors for instigating the host immune …

M Suleman, I Ishaq, H Khan, S Ullah khan… - Frontiers in …, 2024 - frontiersin.org
SARS-CoV-2, also referred to as severe acute respiratory syndrome coronavirus 2, is the
virus responsible for causing COVID-19, an infectious disease that emerged in Wuhan …

Targeting SARS-CoV-2 Macrodomain-1 to Restore the Innate Immune Response Using In Silico Screening of Medicinal Compounds and Free Energy Calculation …

A Mohammad, E Alshawaf, H Arefanian, SK Marafie… - Viruses, 2023 - mdpi.com
Among the different drug targets of SARS-CoV-2, a multi-domain protein known as NSP3 is
a critical element of the translational and replication machinery. The macrodomain-I, in …

Computational Investigations of traditional Chinese medicinal compounds against the omicron variant of SARS-CoV-2 to rescue the host immune system

ZT Naman, S Kadhim, ZJK Al-Isawi, CJ Butch… - Pharmaceuticals, 2022 - mdpi.com
Macrodomain-I of the NSP3 (non-structural protein 3) is responsible for immune response
hijacking in the SARS-CoV-2 infection known as COVID-19. In the omicron variant (B. 1.1 …

Molecular simulation-based investigation of highly potent natural products to abrogate formation of the nsp10–nsp16 complex of sars-cov-2

A Mohammad, E Alshawaf, SK Marafie, M Abu-Farha… - Biomolecules, 2021 - mdpi.com
The SARS-CoV-2 non-structural protein (nsp) nsp10–nsp16 complex is essential for the 2′-
O-methylation of viral mRNA, a crucial step for evading the innate immune system, and it is …

Virtual screening and molecular dynamics simulation for identification of natural antiviral agents targeting SARS-CoV-2 NSP10

H Zhao, J Liu, L He, L Zhang, R Yu, C Kang - Biochemical and Biophysical …, 2022 - Elsevier
New variations of SARS-CoV-2 continue to emerge in the global pandemic, which may be
resistant to at least some vaccines in COVID-19, indicating that drug and vaccine …

Mutational analysis of SARS-CoV-2 ORF6-KPNA2 binding interface and identification of potent small molecule inhibitors to recuse the host immune system

M Suleman, A Said, H Khan, SU Rehman… - Frontiers in …, 2024 - frontiersin.org
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) surfaced on 31 December,
2019, and was identified as the causative agent of the global COVID-19 pandemic, leading …

[HTML][HTML] Mutational analysis of SARS-CoV-2 ORF6-KPNA2 binding interface and identification of potent small molecule inhibitors to recuse the host immune system

M Suleman, A Said, H Khan, SU Rehman… - Frontiers in …, 2024 - frontiersin.org
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) surfaced on 31 December,
2019, and was identified as the causative agent of the global COVID-19 pandemic, leading …

Exploring the pharmacological aspects of natural phytochemicals against SARS-CoV-2 Nsp14 through an in silico approach

A De, S Bhattacharya, B Debroy, A Bhattacharya… - In Silico …, 2023 - Springer
The severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2), possesses an
important bifunctional nonstructural protein (nsp14) with a C-terminal N7-methyltransferase …

Coronavirus Inhibitors Targeting nsp16

EA Omer, S Abdelfatah, M Riedl, C Meesters… - Molecules, 2023 - mdpi.com
During the past three decades, humans have been confronted with different new
coronavirus outbreaks. Since the end of the year 2019, COVID-19 threatens the world as a …

Digging for the discovery of SARS-CoV-2 nsp12 inhibitors: a pharmacophore-based and molecular dynamics simulation study

FS Askari, M Ebrahimi, J Parhiz, M Hassanpour… - Future …, 2022 - Future Medicine
Aim: COVID-19 is a global health threat. Therapeutics are urgently needed to cure patients
severely infected with COVID-19. Objective: to investigate potential candidates of nsp12 …