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 …

Phytochemicals-based targeting RdRp and main protease of SARS-CoV-2 using docking and steered molecular dynamic simulation: A promising therapeutic …

A Parihar, ZF Sonia, F Akter, MA Ali, FT Hakim… - Computers in Biology …, 2022 - Elsevier
The ongoing COVID-19 pandemic has affected millions of people worldwide and caused
substantial socio-economic losses. Few successful vaccine candidates have been approved …

Mapping scientific productivity trends and hotspots in remdesivir research publications: a bibliometric study from 2016 to 2021

RE Ogunsakin, O Ebenezer, MA Jordaan… - International Journal of …, 2022 - mdpi.com
Highlights 5321 articles are examined to study the literature on remdesivir research for the
last six years. We use Scopus database to collect bibliographic material and provide a range …

The importance of good practices and false hits for QSAR-driven virtual screening real application: a SARS-CoV-2 main protease (Mpro) case study

MSM Serafim, SQ Pantaleão, EB da Silva… - Frontiers in Drug …, 2023 - frontiersin.org
Computer-Aided Drug Design (CADD) approaches, such as those employing quantitative
structure-activity relationship (QSAR) methods, are known for their ability to uncover novel …

Molecular investigation of TSHR gene in Bangladeshi congenital hypothyroid patients

MN Begum, R Mahtarin, MT Islam, S Ahmed… - PloS one, 2023 - journals.plos.org
The disorder of thyroid gland development or thyroid dysgenesis accounts for 80–85% of
congenital hypothyroidism (CH) cases. Mutations in the TSHR gene are mostly associated …

Trapping a non-cognate nucleotide upon initial binding for replication fidelity control in SARS-CoV-2 RNA dependent RNA polymerase

ME Romero, SJ McElhenney, J Yu - Physical Chemistry Chemical …, 2024 - pubs.rsc.org
The RNA dependent RNA polymerase (RdRp) in SARS-CoV-2 is a highly conserved
enzyme responsible for viral genome replication/transcription. To understand how the viral …

[HTML][HTML] Bioprospection for antiviral compounds from selected medicinal plants against RNA polymerase of rotavirus A using molecular modelling and density …

AA Lanrewaju, AM Folami, S Sabiu… - Chemical Physics …, 2024 - Elsevier
Rotavirus A (RVA) infection remains a significant global health challenge, especially in
developing countries, causing severe dehydrating diarrhoea in children under five years of …

Efficacy of defensins as neutralizing agents against the deadly SARS-CoV-2

V Deepthi, KP Mohanakumar… - Journal of Biomolecular …, 2023 - Taylor & Francis
SARS-CoV-2 infection causes asymptomatic to severe human respiratory diseases.
Vaccinations are effective only to a certain extent, and the disease recurs with milder …

Bibliometric analysis: nanotechnology and COVID-19

CN Lunardi, FL Subrinho… - Current Topics in …, 2022 - ingentaconnect.com
Background: COVID-19 pandemic information is critical to study it further, but the virus has
still not been confined. In addition, even if there is no longer any threat, more knowledge …

[PDF][PDF] Chemical Physics Impact

AA Lanrewaju, AM Folami, S Sabiu, FM Swalaha - researchgate.net
Rotavirus A (RVA) infection remains a significant global health challenge, especially in
developing countries, causing severe dehydrating diarrhoea in children under five years of …