Artificial intelligence to deep learning: machine intelligence approach for drug discovery

R Gupta, D Srivastava, M Sahu, S Tiwari, RK Ambasta… - Molecular …, 2021 - Springer
Drug designing and development is an important area of research for pharmaceutical
companies and chemical scientists. However, low efficacy, off-target delivery, time …

Artificial intelligence and machine learning based intervention in medical infrastructure: a review and future trends

K Kumar, P Kumar, D Deb, ML Unguresan, V Muresan - Healthcare, 2023 - mdpi.com
People in the life sciences who work with Artificial Intelligence (AI) and Machine Learning
(ML) are under increased pressure to develop algorithms faster than ever. The possibility of …

[HTML][HTML] Withania somnifera (L.) Dunal: opportunity for clinical repurposing in COVID-19 management

A Saggam, K Limgaokar, S Borse… - Frontiers in …, 2021 - frontiersin.org
As the COVID-19 pandemic is progressing, the therapeutic gaps in conventional
management have highlighted the need for the integration of traditional knowledge systems …

Structural interactions of phytoconstituent (s) from cinnamon, bay leaf, oregano, and parsley with SARS‐CoV‐2 nucleocapsid protein: A comparative assessment for …

I Husain, R Ahmad, S Siddiqui… - Journal of Food …, 2022 - Wiley Online Library
SARS‐CoV‐2 has been responsible for causing 6,218,308 deaths globally till date and has
garnered worldwide attention. The lack of effective preventive and therapeutic drugs against …

Medicinal and therapeutic potential of withanolides from Withania somnifera against COVID-19

M Dhawan, M Parmar, K Sharun, R Tiwari… - Journal of Applied …, 2021 - japsonline.com
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), the etiological agent of the
potentially fatal coronavirus disease 2019 (COVID-19), has currently affected over 87 million …

Virtual screening in drug discovery

AR Patel, HB Patel, SK Mody, RD Singh… - Journal of Veterinary …, 2021 - indianjournals.com
Natural products, containing inherently large-scale structural diversity than synthetic
compounds, have been the major resources of bioactive agents and will continuously play …

In silico prediction of Antifungal compounds from Natural sources towards Lanosterol 14-alpha demethylase (CYP51) using Molecular docking and Molecular dynamic …

I Sama-ae, NC Pattaranggoon, A Tedasen - Journal of Molecular Graphics …, 2023 - Elsevier
An increase in the occurrence of fungal infections throughout the world, as well as the rise of
novel fungal strains and antifungal resistance to commercially available drugs, suggests that …

A Computational Study on Selected Alkaloids as SARS‐CoV‐2 Inhibitors: PASS Prediction, Molecular Docking, ADMET Analysis, DFT, and Molecular Dynamics …

MG Mortuza, MAH Roni, A Kumer… - Biochemistry …, 2023 - Wiley Online Library
Despite treatments and vaccinations, it remains difficult to develop naturally occurring
COVID‐19 inhibitors. Here, our main objective is to find potential lead compounds from the …

Identification of novel gene signatures using next-generation sequencing data from COVID-19 infection models: focus on neuro-COVID and potential therapeutics

PN Pushparaj, AA Abdulkareem… - Frontiers in …, 2021 - frontiersin.org
SARS-CoV-2 is the causative agent for coronavirus disease-19 (COVID-19) and belongs to
the family Coronaviridae that causes sickness varying from the common cold to more severe …

Biochar amendment reduced the risk associated with metal uptake and improved metabolite content in medicinal herbs

N Nigam, P Khare, M Ahsan, V Yadav… - Physiologia …, 2021 - Wiley Online Library
Contaminations of heavy metals such as lead (Pb) and cadmium (Cd) in medicinal plants
(MPs) not only restrict their safe consumption due to health hazards but also lower their …