Network pharmacology approach for medicinal plants: review and assessment
Natural products have played a critical role in medicine due to their ability to bind and
modulate cellular targets involved in disease. Medicinal plants hold a variety of bioactive …
modulate cellular targets involved in disease. Medicinal plants hold a variety of bioactive …
Chalcone scaffolds, bioprecursors of flavonoids: Chemistry, bioactivities, and pharmacokinetics
Chalcones are secondary metabolites belonging to the flavonoid (C6-C3-C6 system) family
that are ubiquitous in edible and medicinal plants, and they are bioprecursors of plant …
that are ubiquitous in edible and medicinal plants, and they are bioprecursors of plant …
Drug repurposing for rare diseases
HI Roessler, NVAM Knoers, MM van Haelst… - Trends in …, 2021 - cell.com
Currently, there are about 7000 identified rare diseases, together affecting 10% of the
population. However, fewer than 6% of all rare diseases have an approved treatment option …
population. However, fewer than 6% of all rare diseases have an approved treatment option …
Computational evaluation of major components from plant essential oils as potent inhibitors of SARS-CoV-2 spike protein
Abstract COVID-19, caused by SARS-CoV-2 has recently emerged as a global pandemic.
Intense efforts are ongoing to find a vaccine or a drug to control the disease across the …
Intense efforts are ongoing to find a vaccine or a drug to control the disease across the …
Pharmacokinetics and drug-likeness of antidiabetic flavonoids: Molecular docking and DFT study
Computer aided toxicity and pharmacokinetic prediction studies attracted the attention of
pharmaceutical industries as an alternative means to predict potential drug candidates. In …
pharmaceutical industries as an alternative means to predict potential drug candidates. In …
Drug repurposing for antimicrobial discovery
Antimicrobial resistance continues to be a public threat on a global scale. The ongoing need
to develop new antimicrobial drugs that are effective against multi-drug-resistant pathogens …
to develop new antimicrobial drugs that are effective against multi-drug-resistant pathogens …
Potential of quantum computing for drug discovery
Y Cao, J Romero… - IBM Journal of Research …, 2018 - ieeexplore.ieee.org
Quantum computing has rapidly advanced in recent years due to substantial development in
both hardware and algorithms. These advances are carrying quantum computers closer to …
both hardware and algorithms. These advances are carrying quantum computers closer to …
Artificial intelligence and machine learning approaches for drug design: challenges and opportunities for the pharmaceutical industries
C Selvaraj, I Chandra, SK Singh - Molecular diversity, 2021 - Springer
The global spread of COVID-19 has raised the importance of pharmaceutical drug
development as intractable and hot research. Developing new drug molecules to overcome …
development as intractable and hot research. Developing new drug molecules to overcome …
Computational methods in drug discovery
Computer-aided drug discovery/design methods have played a major role in the
development of therapeutically important small molecules for over three decades. These …
development of therapeutically important small molecules for over three decades. These …
Comparison of deep learning with multiple machine learning methods and metrics using diverse drug discovery data sets
Machine learning methods have been applied to many data sets in pharmaceutical research
for several decades. The relative ease and availability of fingerprint type molecular …
for several decades. The relative ease and availability of fingerprint type molecular …