In-silico identification and exploration of small molecule coumarin-1, 2, 3-triazole hybrids as potential EGFR inhibitors for targeting lung cancer
Globally, lung cancer is a significant public health concern due to its role as the leading
cause of cancer-related mortalities. The promising target of EGFR for lung cancer treatment …
cause of cancer-related mortalities. The promising target of EGFR for lung cancer treatment …
Synthesis, single crystal XRD, in-silico and in-vitro studies of alkyl substituted acyl thiourea as carbonic anhydrase inhibitor
A Ahmed, A Ahmed, PA Channar, SA Ejaz… - Journal of Molecular …, 2023 - Elsevier
Carbonic anhydrases (CAs) representing the class of metalloenzymes are expressed widely
and play a crucial role in various physiological and pathological processes. The Alkyl …
and play a crucial role in various physiological and pathological processes. The Alkyl …
In silico discovery of potential sodium–glucose cotransporter-2 inhibitors from natural products for treatment of heart failure via molecular docking and molecular …
J Kong, L Li, H Yuan, F Bai, K Yang… - Journal of Biomolecular …, 2023 - Taylor & Francis
Heart failure (HF) is the end stage of cardiovascular disease. Because of its complex
condition and poor prognosis, HF has become an important public health problem in the …
condition and poor prognosis, HF has become an important public health problem in the …
[HTML][HTML] Discovery of new naphthyridine hybrids against enoyl-ACP reductase (inhA) protein target of Mycobacterium tuberculosis: Molecular docking, molecular …
G Sabarees, V Velmurugan, VR Solomon - Chemical Physics Impact, 2023 - Elsevier
Tuberculosis (TB) is caused by Mycobacterium tuberculosis (Mtb) and remains a significant
global public health concern, with many new cases reported annually. Despite …
global public health concern, with many new cases reported annually. Despite …
Synthesis of novel furan-based chalcone derivatives as anti-tuberculosis agents: in vitro, cytotoxicity assessment and in silico
LS Dhivya, KM Kumaradoss - Future Medicinal Chemistry, 2023 - Taylor & Francis
Background: The aim of the study is to identify a novel furan-based chalcone derivative as
potent inhibitor against the H37Rv strain. Materials & methods: The in silico pharmacokinetic …
potent inhibitor against the H37Rv strain. Materials & methods: The in silico pharmacokinetic …
In silico discovery of food-derived phytochemicals against asialoglycoprotein receptor 1 for treatment of hypercholesterolemia: Pharmacophore modeling, molecular …
S Gao, L Wang, F Bai, S Xu - Journal of Molecular Graphics and Modelling, 2023 - Elsevier
Hypercholesterolemia is a significant risk factor for atherosclerotic cardiovascular disease
(ASCVD). Successful management of cholesterol metabolism disorders can prevent these …
(ASCVD). Successful management of cholesterol metabolism disorders can prevent these …
Antifungal activity of compounds from Gordonia sp. WA8-44 isolated from the gut of Periplaneta americana and molecular docking studies
W Liu, E Li, L Liu, F Tian, X Luo, Y Cai, J Wang, X Jin - Heliyon, 2023 - cell.com
Invasive fungal infections are on the rise, leading to a continuous demand for antifungal
antibiotics. Rare actinomycetes have been shown to contain a variety of interesting …
antibiotics. Rare actinomycetes have been shown to contain a variety of interesting …
Discovery of Natural Multitarget Xanthine Oxidase Inhibitors for Therapeutic Hyperuricemia Using Virtual Screening, Network Pharmacology and in vitro …
L Cao, B Ma, B Yi, Y Liu, J Sun - ChemistrySelect, 2023 - Wiley Online Library
In this research, based on an important target xanthine dehydrogenase/oxidase (XDH/XO) of
therapeutical hyperuricemia, natural multitarget XO inhibitors are discovered from Chinese …
therapeutical hyperuricemia, natural multitarget XO inhibitors are discovered from Chinese …
Characterization, phytochemical profiling, antioxidant, and cytotoxicity of underutilized medicinal plants and composite flour
N Singh, N Tyagi, M Singh, HR Kushwaha, RK Sharma… - Food Chemistry, 2024 - Elsevier
In this investigation, three medicinal plant powders and a composite flour developed from
them were analyzed. FESEM/EDS illustrated irregularly shaped particles in the plant …
them were analyzed. FESEM/EDS illustrated irregularly shaped particles in the plant …
In vitro activity, ultrastructural analysis and in silico pharmacokinetic properties (ADMET) of thiazole compounds against adult worms of Schistosoma mansoni
DVSP da Silva, PH do Bomfim Nascimento… - Acta Tropica, 2023 - Elsevier
The present work aimed to carry out in vitro biological assays of thiazole compounds against
adult worms of Schistosoma mansoni, as well as the in silico determination of …
adult worms of Schistosoma mansoni, as well as the in silico determination of …