COVID-19: characteristics and therapeutics

R Chilamakuri, S Agarwal - Cells, 2021 - mdpi.com
Novel coronavirus (COVID-19 or 2019-nCoV or SARS-CoV-2), which suddenly emerged in
December 2019 is still haunting the entire human race and has affected not only the …

MatGPT: A vane of materials informatics from past, present, to future

Z Wang, A Chen, K Tao, Y Han, J Li - Advanced Materials, 2024 - Wiley Online Library
Combining materials science, artificial intelligence (AI), physical chemistry, and other
disciplines, materials informatics is continuously accelerating the vigorous development of …

Pharmacoinformatics and molecular dynamics simulation-based phytochemical screening of neem plant (Azadiractha indica) against human cancer by targeting …

F Ahammad, R Alam, R Mahmud… - Briefings in …, 2021 - academic.oup.com
Minichromosome maintenance complex component 7 (MCM7) belongs to the
minichromosome maintenance family that is important for the initiation of eukaryotic DNA …

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 …

An in-silico identification of potential flavonoids against kidney fibrosis targeting TGFβR-1

MDH Rahman, P Biswas, D Dey, MA Hannan… - Life, 2022 - mdpi.com
Fibrosis is a hallmark of progressive kidney diseases. The overexpression of profibrotic
cytokine, namely transforming growth factor β (TGF-β) due to excessive inflammation and …

Immunogenicity of candidate MERS-CoV DNA vaccines based on the spike protein

SS Al-Amri, AT Abbas, LA Siddiq, A Alghamdi… - Scientific reports, 2017 - nature.com
MERS-coronavirus is a novel zoonotic pathogen which spread rapidly to> 25 countries since
2012. Its apparent endemicity and the wide spread of its reservoir host (dromedary camels) …

Molecular docking and dynamics study to explore phytochemical ligand molecules against the main protease of SARS-CoV-2 from extensive phytochemical datasets

S Mahmud, MA Mita, S Biswas, GK Paul… - Expert Review of …, 2021 - Taylor & Francis
Background The high transmission and pathogenicity of SARS-CoV-2 has led to a pandemic
that has halted the world's economy and health. The newly evolved strains and scarcity of …

Can Artemisia herba-alba Be Useful for Managing COVID-19 and Comorbidities?

A Hasan, P Biswas, TA Bondhon, K Jannat, TK Paul… - Molecules, 2022 - mdpi.com
The focus of this roadmap is to evaluate the possible efficacy of Artemisia herba-alba
Asso.(Asteraceae) for the treatment of COVID-19 and some of its symptoms and several …

Identification of acetylcholinesterase inhibitors from traditional medicinal plants for Alzheimer's disease using in silico and machine learning approaches

MT Islam, M Aktaruzzaman, A Saif, MMH Sourov… - RSC …, 2024 - pubs.rsc.org
Acetylcholinesterase (AChE) holds significance in Alzheimer's disease (AD), where
cognitive impairment correlates with insufficient acetylcholine levels. AChE's role involves …

Molecular docking as a potential approach in repurposing drugs against COVID-19: A systematic review and novel pharmacophore models

M Fadlalla, M Ahmed, M Ali, AA Elshiekh… - Current Pharmacology …, 2022 - Springer
Abstract Purpose of Review This article provides a review of the recent literature related to
the FDA-approved drugs that had been repurposed as potential drug candidates against …