Artificial intelligence, big data and machine learning approaches in precision medicine & drug discovery
A Nayarisseri, R Khandelwal, P Tanwar… - Current drug …, 2021 - ingentaconnect.com
Artificial Intelligence revolutionizes the drug development process that can quickly identify
potential biologically active compounds from millions of candidate within a short period. The …
potential biologically active compounds from millions of candidate within a short period. The …
Antiviral therapeutics for chikungunya virus
R Ghildiyal, R Gabrani - Expert opinion on therapeutic patents, 2020 - Taylor & Francis
ABSTRACT Introduction: Chikungunya virus (CHIKV), a reemerging human arthropod borne
virus, can causes global epidemic outbreaks and has become a serious health concern due …
virus, can causes global epidemic outbreaks and has become a serious health concern due …
Computational guided identification of a citrus flavonoid as potential inhibitor of SARS-CoV-2 main protease
N Gogoi, P Chowdhury, AK Goswami, A Das… - Molecular …, 2021 - Springer
Although vaccine development is being undertaken at a breakneck speed, there is currently
no effective antiviral drug for severe acute respiratory syndrome coronavirus 2 (SARS-CoV …
no effective antiviral drug for severe acute respiratory syndrome coronavirus 2 (SARS-CoV …
Pharmacophore modeling, molecular docking and molecular dynamics simulation for screening and identifying anti-dengue phytocompounds
Dengue is a fast spreading mosquito borne viral disease that poses a serious threat to
human health. Lack of therapeutic drugs and vaccines signify that more resources need to …
human health. Lack of therapeutic drugs and vaccines signify that more resources need to …
[HTML][HTML] Identification of lactoferrin-derived peptides as potential inhibitors against the main protease of SARS-CoV-2
W Zhao, X Li, Z Yu, S Wu, L Ding, J Liu - LWT, 2022 - Elsevier
COVID-19 is a global health emergency that causes serious concerns. A global effort is
underway to identify drugs for the treatment of COVID-19. One possible solution to the …
underway to identify drugs for the treatment of COVID-19. One possible solution to the …
Computational Prediction of 3, 5-Diaryl-1H-Pyrazole and spiropyrazolines derivatives as potential acetylcholinesterase inhibitors for alzheimer disease treatment by …
MA El Alaouy, M Alaqarbeh, M Ouabane… - Journal of …, 2023 - Taylor & Francis
The efficacy of 40 synthesized variants of 3, 5-diaryl-1H-pyrazole and spiropyrazoline'
derivatives as acetylcholinesterase inhibitors is verified using a quantitative three …
derivatives as acetylcholinesterase inhibitors is verified using a quantitative three …
Virtual combinatorial chemistry and pharmacological screening: a short guide to drug design
B Suay-García, JI Bueso-Bordils, A Falcó… - International Journal of …, 2022 - mdpi.com
Traditionally, drug development involved the individual synthesis and biological evaluation
of hundreds to thousands of compounds with the intention of highlighting their biological …
of hundreds to thousands of compounds with the intention of highlighting their biological …
[HTML][HTML] Graph theoretical network analysis, in silico exploration, and validation of bioactive compounds from Cynodon dactylon as potential neuroprotective agents …
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Introduction: Parkinson's disease (PD) is a chronic, devastating neurodegenerative disorder …
Introduction: Parkinson's disease (PD) is a chronic, devastating neurodegenerative disorder …
Design of new small molecules derived from indolin-2-one as potent TRKs inhibitors using a computer-aided drug design approach
R Haloui, K Mkhayar, O Daoui… - Journal of …, 2024 - Taylor & Francis
Tropomyosin receptor kinase (TRKs) enzymes are responsible for cancers associated with
the neurotrophic tyrosine kinase receptor gene fusion and are identified as effective targets …
the neurotrophic tyrosine kinase receptor gene fusion and are identified as effective targets …
Multi-conformation representation of Mpro identifies promising candidates for drug repurposing against COVID-19
D Paul, D Basu, S Ghosh Dastidar - Journal of molecular modeling, 2021 - Springer
The COVID-19 main protease (Mpro), one of the conserved proteins of the novel coronavirus
is crucial for its replication and so is a very lucrative drug target. Till now, there is no drug …
is crucial for its replication and so is a very lucrative drug target. Till now, there is no drug …