Fe3+ chelating quinoline–hydrazone hybrids with proven cytotoxicity, leishmanicidal, and trypanocidal activities
文献情報
Juan Carlos Coa, Wilson Cardona-Galeano, Albeiro Restrepo
Neglected tropical diseases cause great concern in developing countries where there are millions of reported infected humans. It is well known that chelating agents inhibit parasite growth by depriving them of iron, an essential nutrient for cell growth and division; therefore, in this work, we use computational methods to explore the Fe3+ chelating abilities of a set of 10 quinoline–hydrazone hybrids (28 substructures in total) whose cytotoxicity, leishmanicidal, and trypanocidal activities are known. We quantify stabilizing effects in the bare molecules as well as in the iron complexes and show how iron complexation reduces the structural space. Most noticeably, we provide evidence to support a direct relationship between biological activity and the Fe3+ chelating ability.
関連文献
Formic acid dehydrogenation over PdNi alloys supported on N-doped carbon: synergistic effect of Pd–Ni alloying on hydrogen release
Rizcky Tamarany, Dong Yun Shin, Sukho Kang, Hyangsoo Jeong, Jun Kim, Dong-Hee Lim
DOI: 10.1039/D1CP00236H
Mechanism of chiral recognition by enantiomorphous cytosine crystals during enantiomer adsorption
Vladimir Yu. Gus’kov, Regina Kh. Shayakhmetova, Darya A. Allayarova, Yulia F. Sharafutdinova, Elmira L. Gilfanova, Irina N. Pavlova, Gulnaz Z. Garipova
DOI: 10.1039/D1CP01265G
Effect of grain boundaries in La0.84Sr0.16CoO3−δ on oxygen diffusivity and surface exchange kinetics
Natalia Porotnikova, Andrei Farlenkov, Sergey Naumov, Maxim Vlasov, Anna Khodimchuk, Andrey Fetisov, Maxim Ananyev
DOI: 10.1039/D1CP01099A
ReaxFF reactive molecular dynamics simulations to study the interfacial dynamics between defective h-BN nanosheets and water nanodroplets
Weiwei Zhang, Adri C. T. van Duin
DOI: 10.1039/D1CP00546D
Dopants and grain boundary effects in monolayer MoS2: a first-principles study
Xiaoqian Qiu, Yiren Wang, Yong Jiang
DOI: 10.1039/D1CP00156F
Caged-electron states and split-electron states in the endohedral alkali C60
Yi-Fan Yang, Lorenz S. Cederbaum
DOI: 10.1039/D1CP01341F
The many-body expansion for aqueous systems revisited: III. Hofmeister ion–water interactions
Kristina M. Herman, Joseph P. Heindel
DOI: 10.1039/D1CP00409C
Aqueous TMAO solution under high hydrostatic pressure
Inga Kolling, Christoph Hölzl, Sho Imoto, Serena R. Alfarano, Hendrik Vondracek, Lukas Knake, Fabio Novelli, Claudius Hoberg, Jean-Blaise Brubach, Pascale Roy, Harald Forbert, Gerhard Schwaab, Dominik Marx, Martina Havenith
DOI: 10.1039/D1CP00703C
こちらもおすすめ
2-メトキシ-4-(メチルスルフィニル)アミンの主な用途は何ですか?
2-メトキシ-4-(メチルスルフィニル)アミンは、主に医薬品および農薬の製造に使用されます。また、合成化学の一部として研究用材料としても利用されます。
4,6-二氯-N-甲基ピラミジンアミンの代替品はありますか?
代替品としては、4,6-二クロロピラミジンアミンや他のピラミジン系化合物が考えられます。ただし、目的と用途によって最適な代替品は異なります。
6-氯-4-甲基-1H-吲哚を含む廃棄物はどのように処理すべきですか?
6-氯-4-甲基-1H-吲哚の廃棄物は、適切な容器に収集し、密閉して保管します。温度は常温、湿度は低く、直射日光を避けて保管することを推奨します。廃棄処理は専門...
2-フローユロ-4-(トリフルオロメチル)ベンゾイドについて「に適用される法規ガイドラインは何ですか」
2-フローユロ-4-(トリフルオロメチル)ベンゾイドのCAS番号は207974-08-1です。この化合物はGHS分類で毒性物質と有害な反応物質として分類されます...
4-ニトロフェニルN-[(ベンゼルオキシルカーボンイル]グリシングリシングリシン酸はどのように保存すればよいですか?
4-ニトロフェニルN-[(ベンゼルオキシルカーボンイル]グリシングリシングリシン酸は、室温で暗所に保管し、乾燥した環境で保存することを推奨します。容器は密閉性の...
イソデスロラタドリンの代替品はありますか?
イソデスロラタドリンの代替品としては、デスロラタドリンや他の抗ヒスタミン薬が挙げられます。具体的には、デスロラタドリン、ラセカミド、フェルタドリンなどが、症状や...
5-甲氧基-1,2,3,4-四氢异喹啉盐酸盐はどのように合成されますか?
5-甲氧基-1,2,3,4-四氢异喹啉盐酸盐の一般的な合成方法は、メタノール中で5-メトキシ-1,2,3,4-四ヒュドロイソキシンを塩酸で塩化します。この反応で...
4-アミノ-5-メトキシ-2-トルエンサルホニック酸についての法規ガイドラインは何ですか?
CAS番号6471-78-9の4-アミノ-5-メトキシ-2-トルエンサルホニック酸は、GHS分類では corrosive(腐食性)と識別されます。EUのREAC...
甲基孕酮を取り扱う際の実験室安全事項は何ですか?
甲基孕酮の取り扱いは、PPE(個人保護具)の使用が必要な重要な安全事項を伴います。防塵マスク、ゴーグル、手袋を着用することが推奨されます。ドラフトチャンバーを使...
掲載誌
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.










![tert-Butyl 6-chloro-4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate structure tert-Butyl 6-chloro-4-oxospiro[chroman-2,4'-piperidine]-1'-carboxylate structure](https://static.chemtradehub.com/structs/101/1011482-37-3-88a5.webp)


