Computer-aided discovery of bis-indole derivatives as multi-target drugs against cancer and bacterial infections: DFT, docking, virtual screening, and molecular …
Recently, more complex diseases of seemingly incurable pathology have demonstrated the
need for potent and multi-target drugs. Specific to many cancers and bacterial diseases …
need for potent and multi-target drugs. Specific to many cancers and bacterial diseases …
Exploring the potential of fluoro‐flavonoid derivatives as anti‐lung cancer agents: DFT, molecular docking, and molecular dynamics techniques
NJI Esha, ST Quayum, MZ Saif… - … Journal of Quantum …, 2024 - Wiley Online Library
The present investigation utilized in silico methodologies to explore the diverse
pharmacological activities, toxicity profiles, and chemical reactivity of a series of fluoro …
pharmacological activities, toxicity profiles, and chemical reactivity of a series of fluoro …
Exploring the anticancer and antibacterial potential of naphthoquinone derivatives: a comprehensive computational investigation
MH Meem, SB Yusuf, SS Al Abbad, S Rahman… - Frontiers in …, 2024 - frontiersin.org
This study investigates the potential of 2-(4-butylbenzyl)-3-hydroxynaphthalene-1, 4-dione
(11) and its 12 derivatives as anticancer and biofilm formation inhibitors for methicillin …
(11) and its 12 derivatives as anticancer and biofilm formation inhibitors for methicillin …
Docking and MM study of non-structural protein (NS5) of Japanese Encephalitis Virus (JEV) with some derivatives of adenosyl
RK Tiwari, V Pandey, H Srivastava… - Frontiers in …, 2023 - frontiersin.org
Introduction: The flavivirus NS5, a non-structural protein of Japanese Encephalitis Virus
(JEV), a serious deadly human pathogen responsible for epidemics in South East Asia …
(JEV), a serious deadly human pathogen responsible for epidemics in South East Asia …
[HTML][HTML] Design, synthesis, and bioevaluation of novel unsaturated cyanoacetamide derivatives: In vitro and in silico exploration
In this study, we synthesized novel α, β-unsaturated 2-cyanoacetamide derivatives (1–5)
using microwave-assisted Knoevenagel condensation. Characterization of these …
using microwave-assisted Knoevenagel condensation. Characterization of these …
Adenosyl derivatives as a potential inhibitors of NS3 protease of Japanese encephalitis virus (JEV): In silico molecular insight into therapeutic discovery
RK Tiwari, V Pandey, RP Ojha, V Pandey - … and Theoretical Chemistry, 2024 - Elsevier
The genus Flavivirus NS3 a non-structural protein of Japanes Encephalitis Virus (JEV), a
serious deadly human pathogen responsible for several deaths in South East Asia, consists …
serious deadly human pathogen responsible for several deaths in South East Asia, consists …
Investigating Baxdrostat and Its Derivatives as Aldosterone Synthase Inhibitors for Resistant Hypertension: An In Silico Approach
A Labiba, SS Al Abbad, S Rahman… - …, 2024 - Wiley Online Library
Resistant hypertension, a severe condition affecting about 10% of people with high blood
pressure, significantly increases the risk of heart, brain, and kidney issues. This study …
pressure, significantly increases the risk of heart, brain, and kidney issues. This study …
Identification of novel polymorphism and in silico analysis of caprine DNAJB3 gene
L Mohanty, C Mishra, SK Pradhan, SR Mishra… - Small Ruminant …, 2021 - Elsevier
DNAJB3 acts as a cochaperon and stimulates ATPase activity of HSP family genes through
its J domain. An in vivo and in silico study was conducted to get comprehensive idea on the …
its J domain. An in vivo and in silico study was conducted to get comprehensive idea on the …