An efficient high-speed counter-current chromatography method for the preparative separation of potential antioxidant from Paeonia lactiflora Pall. combination of in vitro evaluation and molecular docking.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of separation science"
DOI: 10.1002/jssc.202200082
Abstract: Paeonia lactiflora Pall., one of the most famous classical herbal medicine, has been used to treat diseases for over 1200 years. In this research, the functional ingredients were purified by online-switch two-dimensional high-speed counter-current chromatography… read more here.
Keywords: molecular docking; paeonia lactiflora; high speed; docking ... See more keywords
Spectroscopic and molecular docking studies of the interactions of monomeric unsymmetrical polycationic fluorochromes with DNA and RNA
Sign Up to like & getrecommendations! Published in 2020 at "Dyes and Pigments"
DOI: 10.1016/j.dyepig.2020.108446
Abstract: Abstract The photophysical properties of a series of unsymmetrical di- and tricationic monomethine cyanine dyes were studied in the presence of nucleic acids using combined spectroscopic techniques and molecular docking. The analysis of the UV–visible… read more here.
Keywords: interactions monomeric; docking studies; docking; studies interactions ... See more keywords
Design, synthesis, molecular docking and cytotoxic evaluation of novel 2-furybenzimidazoles as VEGFR-2 inhibitors.
Sign Up to like & getrecommendations! Published in 2017 at "European journal of medicinal chemistry"
DOI: 10.1016/j.ejmech.2017.04.068
Abstract: Inhibition of angiogenesis through inhibition of vascular endothelial growth factor receptor 2 (VEGFR-2) has been applied in cancer therapy because of its important role in promoting cancer growth and metastasis. In the presented study, a… read more here.
Keywords: cytotoxic; docking; evaluation; cell ... See more keywords
Synthesis, Fungicidal Activity, and Molecular Docking of 2-Acylamino and 2-Thioacylamino Derivatives of 1H-benzo[d]imidazoles as Anti-Tubulin Agents.
Sign Up to like & getrecommendations! Published in 2021 at "Journal of agricultural and food chemistry"
DOI: 10.1021/acs.jafc.1c03325
Abstract: This work deals with the synthesis and evaluation of fungicidal activity of benzimidazole derivatives, which are structural analogues of commercial anti-tubulin fungicides. A number of N-acyl and N-thioacyl derivatives of 2-amino-1H-benzo[d]imidazole were prepared, and their… read more here.
Keywords: anti tubulin; docking; fungicidal activity; activity molecular ... See more keywords
Isolation, structural characterization, and molecular docking studies on the bioactive compound from n-Hexane extract of Emilia sonchifolia (L.) DC against the pancreatic cancer target Aurora 2 Kinase
Sign Up to like & getrecommendations! Published in 2024 at "Journal of Complementary and Integrative Medicine"
DOI: 10.1515/jcim-2024-0290
Abstract: Abstract Objectives Natural flora historically has played a substantial part in drug development since they serve as active ingredients in medications and templates for the synthesis of novel pharmaceuticals. Emilia sonchifolia is a conventionally utilised… read more here.
Keywords: pancreatic cancer; compound; docking; aurora kinase ... See more keywords
Potential Serotonin 5-HT2A Receptor Agonist of Psychoactive Components of Silene undulata Aiton: LC-MS/MS, ADMET, and Molecular Docking Studies.
Sign Up to like & getrecommendations! Published in 2024 at "Current pharmaceutical biotechnology"
DOI: 10.2174/0113892010299804240324140017
Abstract: BACKGROUND Silene undulata is historically used for inducing vivid and prophetic lucid dreams, but limited information exists on its phytochemical composition and potential pharmacological properties. OBJECTIVE This study aimed to investigate the phytochemical composition of… read more here.
Keywords: molecular docking; kcal mol; docking; serotonin ht2a ... See more keywords
Synthesis, Molecular docking, Antioxidant, Anti-TB, and potent MCF-7 anticancerstudies of Novel Aryl-carbohydrazideanalogues.
Sign Up to like & getrecommendations! Published in 2022 at "Current computer-aided drug design"
DOI: 10.2174/1573409918666220610162158
Abstract: BACKGROUND Hydrazide-hydrazone based compounds are reported for their wider pharmacological potentials. METHODS In present work, we synthesized 10 new Schiff based-aryl-carbohydrazide (3a-3e) and (4a-4e), analogues and characterized further using standard spectroscopic techniques including NMR, mass… read more here.
Keywords: molecular docking; antioxidant anti; mcf; potent ... See more keywords
Interaction of copper potential metallodrugs with TMPRSS2: A comparative study of docking tools and its implications on COVID-19
Sign Up to like & getrecommendations! Published in 2023 at "Frontiers in Chemistry"
DOI: 10.3389/fchem.2023.1128859
Abstract: SARS-CoV-2 is the virus responsible for the COVID-19 pandemic. For the virus to enter the host cell, its spike (S) protein binds to the ACE2 receptor, and the transmembrane protease serine 2 (TMPRSS2) cleaves the… read more here.
Keywords: interaction; interaction copper; docking; potential metallodrugs ... See more keywords
Synthesis and Molecular Docking Study of Novel Pyrimidine Derivatives against COVID-19
Sign Up to like & getrecommendations! Published in 2023 at "Molecules"
DOI: 10.3390/molecules28020739
Abstract: A novel series of pyrido[2,3-d]pyrimidines; pyrido[3,2-e][1,3,4]triazolo; and tetrazolo[1,5-c]pyrimidines were synthesized via different chemical transformations starting from pyrazolo[3,4-b]pyridin-6-yl)-N,N-dimethylcarbamimidic chloride 3b (prepared from the reaction of o-aminonitrile 1b and phosogen iminiumchloride). The structures of the newly synthesized… read more here.
Keywords: molecular docking; docking study; synthesis molecular; docking ... See more keywords
Natural Compounds as DPP-4 Inhibitors: 3D-Similarity Search, ADME Toxicity, and Molecular Docking Approaches
Sign Up to like & getrecommendations! Published in 2022 at "Symmetry"
DOI: 10.3390/sym14091842
Abstract: Type 2 diabetes mellitus is one of the most common diseases of the 21st century, caused by a sedentary lifestyle, poor diet, high blood pressure, family history, and obesity. To date, there are no known… read more here.
Keywords: molecular docking; similarity search; dpp inhibitors; docking ... See more keywords
Anti-diabetic Agents from Natural Origin like Dipeptidyl Peptidase IV inhibitors: Phamacophore Based Virtual and Docking Studies
Sign Up to like & getrecommendations! Published in 2020 at "Indian Journal of Pharmaceutical Sciences"
DOI: 10.36468/pharmaceutical-sciences.711
Abstract: Dipeptidyl peptidase IV is a serine protease that rapidly cleaves glucagon-likepeptide-1 and glucosedependent insulinotropic polypeptide. Inhibition of Dipeptidyl peptidase IV would prolong the half-life of incretins which stimulates insulin secretion. Omarigliptin which is in phase… read more here.
Keywords: dipeptidyl peptidase; peptidase; peptidase inhibitors; docking ... See more keywords