Drug repurposing for COVID-19: Approaches, challenges and promising candidates

YL Ng, CK Salim, JJH Chu - Pharmacology & therapeutics, 2021 - Elsevier
Traditional drug development and discovery has not kept pace with threats from emerging
and re-emerging diseases such as Ebola virus, MERS-CoV and more recently, SARS-CoV …

[HTML][HTML] An understanding of coronavirus and exploring the molecular dynamics simulations to find promising candidates against the Mpro of nCoV to combat the …

MB Singh, R Sharma, D Kumar, P Khanna… - Journal of infection and …, 2022 - Elsevier
The first infection case of new coronavirus was reported at the end of 2019 and after then,
the cases are reported in all nations across the world in a very short period. Further, the …

Designing a multi-epitope vaccine candidate to combat MERS-CoV by employing an immunoinformatics approach

S Mahmud, MO Rafi, GK Paul, MM Promi… - Scientific Reports, 2021 - nature.com
Currently, no approved vaccine is available against the Middle East respiratory syndrome
coronavirus (MERS-CoV), which causes severe respiratory disease. The spike glycoprotein …

In silico protein engineering shows that novel mutations affecting NAD+ binding sites may improve phosphite dehydrogenase stability and activity

S Baammi, R Daoud, A El Allali - Scientific Reports, 2023 - nature.com
Pseudomonas stutzeri phosphite dehydrogenase (PTDH) catalyzes the oxidation of
phosphite to phosphate in the presence of NAD, resulting in the formation of NADH. The …

QSPR Modeling with Topological Indices of Some Potential Drug Candidates against COVID‐19

Ö Çolakoğlu - Journal of Mathematics, 2022 - Wiley Online Library
COVID‐19, which has spread all over the world and was declared as a pandemic, is a new
disease caused by the coronavirus family. There is no medicine yet to prevent or end this …

Insighting the inhibitory potential of novel modafinil drug derivatives against estrogen alpha (ERα) of breast cancer through a triple hybrid computational methodology

A Saba, F Sarwar, S Muhammad, M Ilyas, J Iqbal… - Journal of molecular …, 2022 - Elsevier
Breast cancer (Bc a) is the prominent, most commonly detected, and the leading cause of
mortality among women. Estrogen receptor alpha (ERα) is considered an important receptor …

Recognizing novel drugs against Keap1 in Alzheimer's disease using machine learning grounded computational studies

N Mukerjee, K Al-Khafaji, S Maitra… - Frontiers in Molecular …, 2022 - frontiersin.org
Alzheimer's disease (AD) is the most common neurodegenerative disorder in the world,
affecting an estimated 50 million individuals. The nerve cells become impaired and die due …

GC–MS analysis, and evaluation of protective effect of Piper chaba stem bark against paracetamol-induced liver damage in Sprague-Dawley rats: Possible defensive …

C Sarkar, M Mondal, K Al-Khafaji, DM El-Kersh… - Life Sciences, 2022 - Elsevier
The present study attempted to scrutinize the protective effect of the methanolic extract of P.
chaba stem bark against paracetamol-induced hepatotoxicity in Sprague− Dawley rats …

3D-QSAR studies, molecular docking, molecular dynamic simulation, and ADMET proprieties of novel pteridinone derivatives as PLK1 inhibitors for the treatment of …

M Er-Rajy, M El Fadili, H Imtara, A Saeed… - Life, 2023 - mdpi.com
Overexpression of polo-like kinase 1 (PLK1) has been found in many different types of
cancers. With its essential role in cell proliferation, PLK1 has been determined to be a broad …

Effectiveness and safety of favipiravir compared to supportive care in moderately to critically ill COVID-19 patients: a retrospective study with propensity score …

A Alamer, AA Alrashed, M Alfaifi… - Current Medical …, 2021 - Taylor & Francis
Introduction Favipiravir is a repurposed drug to treat coronavirus 2019 (COVID-19). Due to a
lack of available real-world data, we assessed its effectiveness and safety in moderately to …