2‐Aminoaryl‐3,5‐diaryl pyrazines: Synthesis, biological evaluation against Mycobacterium tuberculosis and docking studies
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DOI: 10.1002/ardp.201900368
Abstract: Rationally designed Mycobacterium tuberculosis (Mtb) inhibitors were synthesized under Buchwald conditions using Pd2(dba)3/xantphos and the compounds were investigated for their biological activity against the Mtb standard strain H37Rv and two other clinically isolated multidrug‐resistant strains… read more here.
Keywords: docking studies; diaryl pyrazines; aminoaryl diaryl; mycobacterium tuberculosis ... See more keywords
Synthesis, anti‐inflammatory activity, and molecular docking studies of some novel Mannich bases of the 1,3,4‐oxadiazole‐2(3H)‐thione scaffold
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DOI: 10.1002/ardp.202000061
Abstract: A series of novel ibuprofen and salicylic acid‐based 3,5‐disubstituted‐1,3,4‐oxadiazole‐2(3H)‐thione derivatives was synthesized, and they were evaluated as potential anti‐inflammatory agents. Following the structure identification studies employing IR, 1H nuclear magnetic resonance (NMR), 13C NMR, and… read more here.
Keywords: anti inflammatory; docking studies; oxadiazole thione; synthesis anti ... See more keywords
Triazolo‐linked benzimidazoles as tubulin polymerization inhibitors and DNA intercalators: Design, synthesis, cytotoxicity, and docking studies
Sign Up to like & getrecommendations! Published in 2023 at "Archiv der Pharmazie"
DOI: 10.1002/ardp.202200449
Abstract: A simple “click” protocol was employed in the quest of synthesizing 1,2,3‐triazole‐linked benzimidazoles as promising anticancer agents on various human cancer cell lines such as A549, HCT116, SK‐Mel‐28, HT‐29, and MCF‐7. Compound 12j demonstrated significant… read more here.
Keywords: dna; cytotoxicity; docking studies; tubulin polymerization ... See more keywords
Design, Synthesis, Structure‐Activity Relationship and Docking Studies of Novel Functionalized Arylvinyl‐1,2,4‐Trioxanes as Potent Antiplasmodial as well as Anticancer Agents
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DOI: 10.1002/cmdc.202000045
Abstract: A novel series of synthetic functionalized arylvinyl‐1,2,4‐trioxanes (8 a–p) has been prepared and assessed for their in vitro antiplasmodial activity against the chloroquine‐resistant Pf INDO strain of Plasmodium falciparum by using a SYBR green‐I fluorescence assay. Compounds… read more here.
Keywords: functionalized arylvinyl; docking studies; arylvinyl trioxanes; ic50 ... See more keywords
Structural insights into anticancer activity of D-ring modified estrone derivatives using their lipophilicity in estimation of SAR and molecular docking studies.
Sign Up to like & getrecommendations! Published in 2017 at "Drug testing and analysis"
DOI: 10.1002/dta.2242
Abstract: Many forms of breast carcinoma are hormone-dependent and therefore development of novel aromatase inhibitors is of particular interest. Since brain metastases are frequent in patients with advanced breast carcinoma, one of the goals of modern… read more here.
Keywords: docking studies; analysis; lipophilicity; structural insights ... See more keywords
Preparation, DFT calculations, docking studies, antioxidant, and anticancer properties of new pyrazole and pyridine derivatives
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Biochemical and Molecular Toxicology"
DOI: 10.1002/jbt.23135
Abstract: Seven novel pyrazole derivatives (4a–g) and four novel starting compounds incorporating substituted pyridine moieties were synthesized successfully. Cell viability assay for the tested compounds was performed, and the inhibitory concentrationlogarithmic 50 (LogIC50) values of the… read more here.
Keywords: preparation dft; pyridine; activity; docking studies ... See more keywords
MIA-QSAR and docking studies of recent HPPD inhibitors.
Sign Up to like & getrecommendations! Published in 2023 at "Journal of the science of food and agriculture"
DOI: 10.1002/jsfa.12608
Abstract: BACKGROUND Mesotrione is a triketone widely used as an inhibitor of the hydroxyphenylpyruvate deoxygenase (HPPD) enzyme. However, new agrochemicals should be continuously developed to tackle the problem of herbicide resistance. Two sets of mesotrione analogs… read more here.
Keywords: mia qsar; hppd inhibitors; qsar docking; docking studies ... See more keywords
An efficient synthesis of flavanones and their docking studies with aldose reductase
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DOI: 10.1007/s00044-017-1813-1
Abstract: A series of flavanone derivatives have been synthesized from 2-hydroxy acetophenone and benzaldehyde using fused calcium chloride in good to moderate yields, and their in vitro aldose reductase inhibitory activity has been tested on aldose… read more here.
Keywords: synthesis flavanones; efficient synthesis; aldose reductase; docking studies ... See more keywords
Synthesis, in vitro antifungal evaluation and docking studies of novel derivatives of imidazoles and benzimidazoles
Sign Up to like & getrecommendations! Published in 2019 at "Medicinal Chemistry Research"
DOI: 10.1007/s00044-019-02369-7
Abstract: A series of imidazole and benzimidazole derivatives was designed and prepared in good yields via convenient and efficient two steps synthetic route using readily available starting materials. The structures of the synthesized compounds and their… read more here.
Keywords: evaluation docking; studies novel; docking studies; vitro antifungal ... See more keywords
Facile synthesis and docking studies of 7-hydroxyflavanone isoxazoles and acrylates as potential anti-microbial agents
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DOI: 10.1007/s00044-019-02476-5
Abstract: The present study is aimed to synthesize the novel 7-hydroxyflavanone derived compounds and to assess their biological activity. Two series of compounds such as 2-phenyl-7-((3-phenylisoxazol-5-yl)methoxy)chroman-4-ones ( 6a–h ) and 4-oxo-2-phenylchroman-7-yl acrylates ( 8a–k ) were… read more here.
Keywords: docking studies; anti microbial; hydroxyflavanone; isoxazoles acrylates ... See more keywords
Efficient synthesis of 2,3-diarylbenzo[b]thiophene molecules through palladium (0) Suzuki–Miyaura cross-coupling reaction and their antithrombolyitc, biofilm inhibition, hemolytic potential and molecular docking studies
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DOI: 10.1007/s00044-020-02568-7
Abstract: A series of 2,3-diaryldibenzo[b]thiophene derivatives have been synthesized via Suzuki coupling reactions in moderate to good yields (59–79%). The synthesized compounds were evaluated for their antithrombolytic, biofilm inhibition, and hemolytic potential. All compounds showed significant… read more here.
Keywords: docking studies; inhibition hemolytic; biofilm inhibition; hemolytic potential ... See more keywords