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Structure-based virtual screening: from classical to artificial intelligence
The drug development process is a major challenge in the pharmaceutical industry since it
takes a substantial amount of time and money to move through all the phases of develo** …
takes a substantial amount of time and money to move through all the phases of develo** …
Toward multi-targeted platinum and ruthenium drugs—a new paradigm in cancer drug treatment regimens?
RG Kenny, CJ Marmion - Chemical reviews, 2019 - ACS Publications
While medicinal inorganic chemistry has been practised for over 5000 years, it was not until
the late 1800s when Alfred Werner published his ground-breaking research on coordination …
the late 1800s when Alfred Werner published his ground-breaking research on coordination …
Virtual screening algorithms in drug discovery: a review focused on machine and deep learning methods
Drug discovery and repositioning are important processes for the pharmaceutical industry.
These processes demand a high investment in resources and are time-consuming. Several …
These processes demand a high investment in resources and are time-consuming. Several …
CYP1A inhibitors: Recent progress, current challenges, and future perspectives
Z Dai, Y Wu, Y **ong, J Wu, M Wang… - Medicinal Research …, 2024 - Wiley Online Library
Abstract Mammalian cytochrome P450 1A (CYP1A) are key phase I xenobiotic‐metabolizing
enzymes that play a distinctive role in metabolic activation or metabolic clearance of a …
enzymes that play a distinctive role in metabolic activation or metabolic clearance of a …
The multifarious link between cytochrome P450s and cancer
AM Alzahrani, P Rajendran - Oxidative Medicine and Cellular …, 2020 - Wiley Online Library
Cancer is a leading cause of death worldwide. Cytochrome P450s (P450s) play an
important role in the metabolism of endogenous as well as exogenous substances …
important role in the metabolism of endogenous as well as exogenous substances …
[HTML][HTML] In silico ADME profiling of salubrinal and its analogues
This work reports on a complex in silico assessment of the ADME properties of Salubrinal
(S1) and 54 of its structural analogues containing a cinnamic acid residue (S2–S40) or a …
(S1) and 54 of its structural analogues containing a cinnamic acid residue (S2–S40) or a …
CYP1B1 gene: Implications in glaucoma and cancer
A Alsubait, W Aldossary, M Rashid… - Journal of …, 2020 - pmc.ncbi.nlm.nih.gov
Glaucoma is a serious disease that can lead to irreversible loss of vision. Patients with
primary congenital glaucoma may have elevated intraocular pressure. Hypertension causes …
primary congenital glaucoma may have elevated intraocular pressure. Hypertension causes …
Role of genetic polymorphisms in drug-metabolizing enzyme-mediated toxicity and pharmacokinetic resistance to anti-cancer agents: a review on the …
The inter-individual differences in cancer susceptibility are somehow correlated with the
genetic differences that are caused by the polymorphisms. These genetic variations in drug …
genetic differences that are caused by the polymorphisms. These genetic variations in drug …
Blueberry and/or banana consumption mitigate arachidonic, cytochrome P450 oxylipin generation during recovery from 75-km cycling: a randomized trial
Oxylipins are bioactive lipid oxidation products, have vital regulatory roles in numerous
physiological processes including inflammation, and can be impacted by diet. This study …
physiological processes including inflammation, and can be impacted by diet. This study …
Molecular architect: A user-friendly workflow for virtual screening
Computer-assisted drug design (CADD) methods have greatly contributed to the
development of new drugs. Among CADD methodologies, virtual screening (VS) can enrich …
development of new drugs. Among CADD methodologies, virtual screening (VS) can enrich …