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 …

[HTML][HTML] The Nucleolus and Its Interactions with Viral Proteins Required for Successful Infection

JM Ulloa-Aguilar, L Herrera Moro Huitron… - Cells, 2024 - mdpi.com
Nuclear bodies are structures in eukaryotic cells that lack a plasma membrane and are
considered protein condensates, DNA, or RNA molecules. Known nuclear bodies include …

In Silico Investigation on the Interaction of Chiral Phytochemicals from Opuntia ficus-indica with SARS-CoV-2 Mpro

C Vicidomini, V Roviello, GN Roviello - Symmetry, 2021 - mdpi.com
Opuntia ficus-indica is a cactaceous plant native to America but, nowadays, widely found
worldwide, having been the most common domesticated species of cactus grown as a crop …

In silico identification of potential inhibitors of vital monkeypox virus proteins from FDA approved drugs

AK Sahoo, PD Augusthian, I Muralitharan… - Molecular Diversity, 2023 - Springer
Abstract The World Health Organization (WHO) recently declared the monkeypox outbreak
'A public health emergency of international concern'. The monkeypox virus belongs to the …

2D MXenes for combatting COVID-19 Pandemic: A perspective on latest developments and innovations

S Panda, K Deshmukh, CM Hussain, SKK Pasha - FlatChem, 2022 - Elsevier
The COVID-19 pandemic has adversely affected the world, causing enormous loss of lives.
A greater impact on the economy was also observed worldwide. During the pandemic, the …

Adapted tensor decomposition and PCA based unsupervised feature extraction select more biologically reasonable differentially expressed genes than conventional …

Y Taguchi, T Turki - Scientific Reports, 2022 - nature.com
Tensor decomposition-and principal component analysis-based unsupervised feature
extraction were proposed almost 5 and 10 years ago, respectively; although these methods …

Multi-level biological network analysis and drug repurposing based on leukocyte transcriptomics in severe COVID-19: in silico systems biology to precision medicine

P Sagulkoo, H Chuntakaruk, T Rungrotmongkol… - Journal of personalized …, 2022 - mdpi.com
The coronavirus disease 2019 (COVID-19) pandemic causes many morbidity and mortality
cases. Despite several developed vaccines and antiviral therapies, some patients …

Synthesis, structure activity relationship and biological evaluation of a novel series of quinoline–based benzamide derivatives as anticancer agents and histone …

N Omidkhah, F Hadizadeh, K Abnous… - Journal of Molecular …, 2022 - Elsevier
A novel series of quinoline-based benzamide derivatives was designed and synthesized as
histone deacetylase (HDAC) inhibitors and anticancer agents. The cytotoxic activity of the …

Identification of doxorubicin as repurposing inhibitory drug for MERS-CoV PLpro

AL Alaofi, M Shahid, M Raish, MA Ansari, R Syed… - Molecules, 2022 - mdpi.com
Middle East respiratory syndrome coronavirus (MERS-CoV), belonging to the
betacoronavirus genus can cause severe respiratory illnesses, accompanied by pneumonia …

Computational screening of phytochemicals present in some Nigerian medicinal plants against sickle cell disease

YE Asibor, AK Oyebamiji, DF Latona, B Semire - Scientific Reports, 2024 - nature.com
Four hundred Phytochemical (bio-active) compounds having predictive activity for treating
Sickle Cell Anemia were screened, using PASS online computational resource. Twenty-six …