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 …

A review on the interaction of nucleoside analogues with SARS-CoV-2 RNA dependent RNA polymerase

S Khan, F Attar, SH Bloukh, M Sharifi, F Nabi… - International Journal of …, 2021 - Elsevier
The outbreaks of severe acute respiratory syndrome-coronavirus-2 (SARS-CoV-2) in 2019,
have highlighted the concerns about the lack of potential vaccines or antivirals approved for …

[HTML][HTML] Investigation of the anti-inflammatory and analgesic activities of promising pyrazole derivative

AA Bekhit, SN Nasralla, EJ El-Agroudy… - European Journal of …, 2022 - Elsevier
The development of new COX-2 inhibitors with analgesic and anti-inflammatory efficacy as
well as minimal gastrointestinal, renal and cardiovascular toxicity, is of vital importance to …

Modeling the binding mechanism of remdesivir, favilavir, and ribavirin to SARS-CoV-2 RNA-dependent RNA polymerase

F Bylehn, CA Menendez, GR Perez-Lemus… - ACS central …, 2021 - ACS Publications
Recent efforts to repurpose drugs to combat COVID-19 have identified Remdesivir as a
candidate. It acts on the RNA-dependent, RNA polymerase (RdRp) of the SARS-CoV-2 …

RNA dependent RNA polymerase (RdRp) as a drug target for SARS-CoV2

A Mishra, AS Rathore - Journal of Biomolecular Structure and …, 2022 - Taylor & Francis
RNA-dependent RNA polymerase (RdRp), also called nsp12, is considered a promising but
challenging drug target for inhibiting replication and hence, the growth of various RNA …

New pyrazolylpyrazoline derivatives as dual acting antimalarial-antileishamanial agents: synthesis, biological evaluation and molecular modelling simulations

AA Bekhit, ET Lodebo, A Hymete… - Journal of enzyme …, 2022 - Taylor & Francis
Promising inhibitory activities of the parasite multiplication were obtained upon evaluation of
in vivo antimalarial activities of new pyrazolylpyrazoline derivatives against Plasmodium …

Tetrahydrobenzo [h] quinoline derivatives as a novel chemotype for dual antileishmanial-antimalarial activity graced with antitubercular activity: Design, synthesis and …

TM Ibrahim, G Abada, M Dammann, RM Maklad… - European Journal of …, 2023 - Elsevier
Derivatives with tetrahydrobenzo [h] quinoline chemotype were synthesized via one-pot
reactions and evaluated for their antileishmanial, antimalarial and antitubercular activities …

Effectiveness of Natural Antioxidants against SARS-CoV-2? Insights from the In-Silico World

MF Rehman, S Akhter, AI Batool, Z Selamoglu… - Antibiotics, 2021 - mdpi.com
The SARS CoV-2 pandemic has affected millions of people around the globe. Despite many
efforts to find some effective medicines against SARS CoV-2, no established therapeutics …

Spiro heterocycles bearing piperidine moiety as potential scaffold for antileishmanial activity: synthesis, biological evaluation, and in silico studies

MAA Mohamed, AM Kadry, SA Bekhit… - Journal of Enzyme …, 2023 - Taylor & Francis
New spiro-piperidine derivatives were synthesised via the eco-friendly ionic liquids in a one-
pot fashion. The in vitro antileishmanial activity against Leishmania major promastigote and …

[PDF][PDF] Natural products repurposing of the H5N1-based lead compounds for the most fit inhibitors against 3C-like protease of SARS-CoV-2

AA Parikesit, R Nurdiansyah… - J Pharm Pharmacogn …, 2021 - researchgate.net
Resumen Context: COVID-19 pandemic has caused more than 2.7 million mortality
worldwide. Although the COVID-19 vaccine has been developed, the amount is still limited …