Recent developments in predicting CYP-independent metabolism
NV Dhuria, B Haro, A Kapadia, KA Lobo… - Drug metabolism …, 2021 - Taylor & Francis
As lead optimization efforts have successfully reduced metabolic liabilities due to
cytochrome P450 (CYP)-mediated metabolism, there has been an increase in the frequency …
cytochrome P450 (CYP)-mediated metabolism, there has been an increase in the frequency …
Discovery and characterization of dual inhibitors of human Vanin-1 and Vanin-2 enzymes through molecular docking and dynamic simulation-based approach
The vanins are ectoenzymes with pantetheinase activity and are involved in recycling
pantothenic acid (vitamin B5) from pantetheine. Elevated levels of vanin have been linked …
pantothenic acid (vitamin B5) from pantetheine. Elevated levels of vanin have been linked …
Generating and screening de novo compounds against given targets using ultrafast deep learning models as core components
Deep learning is an artificial intelligence technique in which models express geometric
transformations over multiple levels. This method has shown great promise in various fields …
transformations over multiple levels. This method has shown great promise in various fields …
Comparative molecular docking analysis for analyzing the inhibitory effect of Anakinra and Ustekinumab against IL17F
Interleukin 17 F is a member of IL-17 cytokine family with a 50% structural homology to IL-
17A and plays a significant role either alone or in combination with IL-17A towards …
17A and plays a significant role either alone or in combination with IL-17A towards …
In Vitro Inhibition of Xanthine Oxidase Purified from Arthritis Serum Patients by Nanocurcumin and Artemisinin Active Compounds
Curcumin and artemisinin are commonly used in traditional East Asian medicine. In this
study, we investigated the inhibitory effects of these active compounds on xanthine oxidase …
study, we investigated the inhibitory effects of these active compounds on xanthine oxidase …
Molecular modeling guided drug designing for the therapeutic treatment of rheumatoid arthritis
Rheumatoid arthritis (RA) is a systemic inflammatory disorder that can cause destructive
joint disease, significant disability, and increased mortality. RA is the most frequent of all …
joint disease, significant disability, and increased mortality. RA is the most frequent of all …
Discovery of putative inhibitors of human Pkd1 enzyme: Molecular docking, dynamics and simulation, QSAR, and MM/GBSA
MZ Nawaz, HR Khalid, S Shahbaz, KA Al-Ghanim… - Environmental …, 2024 - Elsevier
Polycystic kidney disease is the most prevalent hereditary kidney disease globally and is
mainly linked to the overexpression of a gene called PKD1. To date, there is no effective …
mainly linked to the overexpression of a gene called PKD1. To date, there is no effective …
The review on medicinal herbs in the treatment of gout through xanthine oxidase inhibitory activity: Call for more research strategy in the future
UQ Le - Journal of Applied Pharmaceutical Science, 2024 - japsonline.com
Medicinal herbs, as their derivative phytocompounds are increasingly demonstrated as
beneficial complementary treatments for gout. An extensive volume of in vitro and in vivo …
beneficial complementary treatments for gout. An extensive volume of in vitro and in vivo …
[PDF][PDF] Research Article Molecular Modeling Guided Drug Designing for the Therapeutic Treatment of Rheumatoid Arthritis
Rheumatoid arthritis (RA) is a systemic inflammatory disorder that can cause destructive
joint disease, significant disability, and increased mortality. RA is the most frequent of all …
joint disease, significant disability, and increased mortality. RA is the most frequent of all …
[PDF][PDF] In-silico SCREENING OF FLAVONOIDS AS AgrA INHIBITORS BY MOLECULAR DOCKING, NORMAL MODE ANALYSIS, AND ADMET STUDY
HK Basak, U Paswan, S Karmakar… - Rasayan Journal of …, 2022 - academia.edu
In-silico SCREENING OF FLAVONOIDS AS AgrA INHIBITORS BY MOLECULAR DOCKING,
NORMAL MODE ANALYSIS, AND ADMET STUDY Page 1 Vol. 15 | No. 2 |1258-1264| April …
NORMAL MODE ANALYSIS, AND ADMET STUDY Page 1 Vol. 15 | No. 2 |1258-1264| April …