Chemical & pharmaceutical bulletin最新文献_第8页

Ion-Pair Extraction with Tetracyanocyclopentadienides: A Method for Estimating Extraction Efficiency. 四氰环戊二烯离子对萃取：一种评价萃取效率的方法。

IF 1.5 4区医学

Chemical & pharmaceutical bulletin Pub Date : 2025-01-01 DOI: 10.1248/cpb.c24-00630

Takeo Sakai, Masanari Ota, Miho Ito, Riho Miura, Yuto Fumimoto, Yuji Mori

引用次数: 0

Theoretical Study of the Substituent Effect on the Diradical Character of α-Substituted α,3-Didehydrotoluenes. 取代基对α-取代α，3-二去氢甲苯双基性质影响的理论研究。

IF 1.5 4区医学

Chemical & pharmaceutical bulletin Pub Date : 2025-01-01 DOI: 10.1248/cpb.c25-00269

Akira Shigenaga, Ryuji Kyan

引用次数: 0

Molecular Modeling, Synthesis, and Preliminary Cytotoxicity Evaluation of New Indole-Based Molecules as Possible Sirtuin Inhibitors. 新型吲哚类Sirtuin抑制剂的分子模拟、合成和初步细胞毒性评价。

IF 1.5 4区医学

Chemical & pharmaceutical bulletin Pub Date : 2025-01-01 DOI: 10.1248/cpb.c24-00774

Ali Fakhri Al-Dalla Ali, Ayad Abed Ali Al-Hamashi

{"title":"Molecular Modeling, Synthesis, and Preliminary Cytotoxicity Evaluation of New Indole-Based Molecules as Possible Sirtuin Inhibitors.","authors":"Ali Fakhri Al-Dalla Ali, Ayad Abed Ali Al-Hamashi","doi":"10.1248/cpb.c24-00774","DOIUrl":"10.1248/cpb.c24-00774","url":null,"abstract":"Sirtuin enzymes are interesting targets for developing new drug candidates. This study aims to design new indole-based sirtuin inhibitors, filtering through molecular docking alongside molecular dynamics and pharmacokinetic property prediction, synthesizing 4 compounds with an evaluation of their cytotoxic activity alongside the sirtuin inhibitor AGK2 against the breast cancer (MCF7) cell line via 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay. The antibacterial activity of these compounds was evaluated by comparing the minimum inhibitory concentration (MIC) with ciprofloxacin against Staphylococcus aureus and Klebsiella pneumoniae using resazurin dye. The docking study showed a higher binding affinity for the synthesized compounds than sirtuin inhibitors AGK2 and selisistat against the sirtuin2 isoform. In addition, the molecular dynamics study showed good stability of the compound with the higher docking score in complex with sirtuin2 over 100 ns. The prediction of pharmacokinetic properties showed adherence to drug-likeness criteria. The MTT assay revealed comparable IC50 values for the compounds with AGK2, as compound AFJ1 showed the highest cytotoxic activity (IC50 = 2.6 μM). Among the synthesized compounds, AFJ2 showed the lowest MIC against K. pneumoniae (125 μg/mL) compared to ciprofloxacin (62.5 μg/mL).","PeriodicalId":9773,"journal":{"name":"Chemical & pharmaceutical bulletin","volume":"73 4","pages":"307-313"},"PeriodicalIF":1.5,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143771455","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Spiromeroterpenoids from the Higher Plants. 高等植物中的螺萜类化合物。

IF 1.5 4区医学

Chemical & pharmaceutical bulletin Pub Date : 2025-01-01 DOI: 10.1248/cpb.c24-00733

Yohei Saito, Tomoya Nishida, Kyoko Nakagawa-Goto

引用次数: 0

Solid Fat Content and Relaxation Time Measurement of Petrolatum Using Time-Domain NMR, and the Correlation with Viscosity and Crystallinity. 用时域核磁共振测定凡士林的固体脂肪含量和松弛时间，以及与粘度和结晶度的关系。

IF 1.5 4区医学

Chemical & pharmaceutical bulletin Pub Date : 2025-01-01 DOI: 10.1248/cpb.c25-00051

Kotaro Okada, Rika Matsumoto, Akane Hara, Yoshinori Onuki

{"title":"Solid Fat Content and Relaxation Time Measurement of Petrolatum Using Time-Domain NMR, and the Correlation with Viscosity and Crystallinity.","authors":"Kotaro Okada, Rika Matsumoto, Akane Hara, Yoshinori Onuki","doi":"10.1248/cpb.c25-00051","DOIUrl":"https://doi.org/10.1248/cpb.c25-00051","url":null,"abstract":"This study aimed to clarify the relationship between the NMR parameters of petrolatum obtained using the time-domain NMR (TD-NMR) technique and the physical properties obtained using conventional methods. Six commercially available drug-free petrolatums were used. First, the physical properties of these samples were recorded by conventional methods: polarized light microscopy, viscometry, and X-ray diffraction (XRD). The XRD pattern showed a characteristic diffraction pattern corresponding to the crystallization of paraffin wax. Next, the TD-NMR technique estimated the solid fat content (SFC) and T2 and T1 relaxation times as NMR parameters. The free induction decay of petrolatum showed the characteristic biphasic decay, while the SFC value was estimated from signal intensities. Finally, a scatterplot matrix was drawn to clarify the relationship between the NMR parameters and the physical properties. Using the Spearman rank-order correlation, the SFC showed a strong and positive correlation with the crystallinity (ρ = 0.855), and the T2 relaxation time showed a moderate and negative correlation with the viscosity (ρ = -0.707). In conclusion, this study clarified which NMR parameters correspond to the conventional physical properties: the SFC corresponded to the crystallinity and the T2 relaxation corresponded to the viscosity. Utilization of the TD-NMR technique to evaluate molecular mobility may be useful in terms of complementing the conventional physical characterization of petrolatum.","PeriodicalId":9773,"journal":{"name":"Chemical & pharmaceutical bulletin","volume":"73 4","pages":"388-395"},"PeriodicalIF":1.5,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143954840","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Structure-Activity Relationship of the Linker Moiety in Photoinduced Electron Transfer-Driven Nitric Oxide Releasers. 光诱导电子转移驱动的一氧化氮释放体中连接体片段的构效关系。

IF 1.5 4区医学

Chemical & pharmaceutical bulletin Pub Date : 2025-01-01 DOI: 10.1248/cpb.c25-00256

Naoya Ieda, Sho Takenaka, Mikako Ogawa, Osuke Yoshikawa, Ryoya Kawata, Yuji Hotta, Hidehiko Nakagawa

{"title":"Structure-Activity Relationship of the Linker Moiety in Photoinduced Electron Transfer-Driven Nitric Oxide Releasers.","authors":"Naoya Ieda, Sho Takenaka, Mikako Ogawa, Osuke Yoshikawa, Ryoya Kawata, Yuji Hotta, Hidehiko Nakagawa","doi":"10.1248/cpb.c25-00256","DOIUrl":"10.1248/cpb.c25-00256","url":null,"abstract":"Nitric oxide (NO) is involved in numerous physiological activities including vasodilation, neurotransmission, and immune system regulation. NO-releasing small compounds are used to investigate the physiological activity of NO and to treat circulatory diseases, such as hypertension and angina pectoris. Among them, light-controllable NO releasers (caged NOs) enable spatiotemporal control of NO's bioactivities. We previously reported NORD-1, a photoinduced electron transfer (PeT)-driven NO releaser that responds to red light. In the PeT-driven NO releasers, the NO release is triggered by photoinduced electron transfer from the N-nitrosoaminophenol to the light-harvesting dye. However, additional functionalization of PeT-driven NO releasers is required to enable introduction of tissue targeting groups or novel release triggers. As such, structure-activity relationship studies are needed to identify a suitable site for modification so as not to affect the NO-releasing efficiency of the PeT. Here, we investigated the functional impact of introducing substituents into the linker region connecting the light-harvesting antenna and NO releasing moiety. Although introduction of various substituents elicited only minor changes in NO-releasing efficiency and vasodilation activity, dialkylamino groups induced pH-dependent changes in NO-releasing reactivity. The structure-activity relationship of the linker moiety could provide fruitful information in further functionalizing PeT-driven NO releasers for biological applications.","PeriodicalId":9773,"journal":{"name":"Chemical & pharmaceutical bulletin","volume":"73 6","pages":"530-539"},"PeriodicalIF":1.5,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144324544","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Development of Efficiently Quantitative Analysis Targeting α-Galactosylceramide in FreeStyle 293-F Cells. 自由式293-F细胞α-半乳糖神经酰胺高效定量分析的进展

IF 1.5 4区医学

Chemical & pharmaceutical bulletin Pub Date : 2025-01-01 DOI: 10.1248/cpb.c25-00161

Kentaro Iwata, Koji Nishimura, Kanae Otsutomo, Yasunori Oba, Kei Motonaga

引用次数: 0

Probing Iodine Atom Interactions in 4-Iodo-L-phenylalanine Crystals by X-Ray Absorption Near-Edge Structure Spectroscopy. 用x射线吸收近边结构光谱探测4-碘- l -苯丙氨酸晶体中碘原子的相互作用。

IF 1.5 4区医学

Chemical & pharmaceutical bulletin Pub Date : 2025-01-01 DOI: 10.1248/cpb.c25-00223

Zhenni Huang, Hironori Suzuki, Hiroshi Oji, Masataka Ito, Shuji Noguchi

引用次数: 0

Theoretical Framework for Novel Catalytic Biomolecules Composed of Multiple Peptides 由多肽组成的新型催化生物分子的理论框架

IF 1.7 4区医学

Chemical & pharmaceutical bulletin Pub Date : 2024-09-10 DOI: 10.1248/cpb.c24-00155

Akihiro Ambo, Shiho Ohno, Yoshiki Yamaguchi, Masayuki Seki

{"title":"Theoretical Framework for Novel Catalytic Biomolecules Composed of Multiple Peptides","authors":"Akihiro Ambo, Shiho Ohno, Yoshiki Yamaguchi, Masayuki Seki","doi":"10.1248/cpb.c24-00155","DOIUrl":"https://doi.org/10.1248/cpb.c24-00155","url":null,"abstract":"Protein-based enzymes are among the most efficient catalysts on our planet. A common feature of protein enzymes is that all catalytic amino acids occupy a limited, narrow space and face each other. In this study, we created a theoretical novel biomimetic molecule containing different multiple catalytic peptides. Although single peptides are far less catalytically efficient than protein enzymes, Octopus-arms-mimicking biomolecules containing eight different peptides (Octopuzymes) can efficiently catalyze organic reactions. Since structural information for extant protein enzymes, predicted enzymes based on genome data, and artificially designed enzymes is available for designing Octopuzymes, they could in theory mimic all protein enzyme reactions on our planet. Moreover, besides L-amino acids, peptides can contain D-amino acids, non-natural amino acids, chemically modified amino acids, nucleotides, vitamins, and manmade catalysts, leading to a huge expansion of catalytic space compared with extant protein enzymes. Once a reaction catalyzed by an Octopuzyme is defined, it could be rapidly evolvable via multiple amino acid substitutions on the eight peptides of Octopuzymes.\u0000\u0000<img alt=\"\" src=\"https://www.jstage.jst.go.jp/pub/cpb/72/9/72_c24-00155/figure/72_c24-00155.png\"/>\u0000Fullsize Image","PeriodicalId":9773,"journal":{"name":"Chemical & pharmaceutical bulletin","volume":"8 1","pages":""},"PeriodicalIF":1.7,"publicationDate":"2024-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142211630","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Two Preparation Methods for Peptide Thioester Containing Tyr(SO3H) Residue(s) without the Use of Protecting Group for Sulfate Moiety 不使用硫酸基保护基团制备含 Tyr(SO3H) 残基的多肽硫酯的两种方法

IF 1.7 4区医学

Chemical & pharmaceutical bulletin Pub Date : 2024-07-26 DOI: 10.1248/cpb.c24-00212

Yumi Sekigawa, Shinichi Asada, Yurie Ichikawa, Kazuaki Tsubokawa, Shoh Watanabe, Shinobu Honzawa, Kouki Kitagawa

{"title":"Two Preparation Methods for Peptide Thioester Containing Tyr(SO3H) Residue(s) without the Use of Protecting Group for Sulfate Moiety","authors":"Yumi Sekigawa, Shinichi Asada, Yurie Ichikawa, Kazuaki Tsubokawa, Shoh Watanabe, Shinobu Honzawa, Kouki Kitagawa","doi":"10.1248/cpb.c24-00212","DOIUrl":"https://doi.org/10.1248/cpb.c24-00212","url":null,"abstract":"We report two methods for the preparation of peptide thioesters containing Tyr(SO3H) residue(s), without use of a protecting group for the sulfate moiety. The first was based on direct thioesterification using carbodiimide on a fully protected peptide acid, prepared on a 2-chlorotrityl (Clt) resin with fluoren-9-ylmethoxycarbonyl (Fmoc)-based solid-phase peptide synthesis (Fmoc-SPPS). Subsequent deprotection of the protecting groups with trifluoroacetic acid (TFA) (0 °C, 4 h) yielded peptide thioesters containing Tyr(SO3H) residue(s). Peptide thioesters containing one to three Tyr(SO3H) residue(s), prepared by this method, were used as building blocks for the synthesis of the Nα-Fmoc-protected N-terminal part of P-selectin glycoprotein ligand 1 (PSGL-1) (Fmoc-PSGL-1(43–74)) via silver-ion mediated thioester segment condensation. The other method was based on the thioesterification of peptide azide, derived from a peptide hydrazide prepared on a NH2NH-Clt-resin with Fmoc-SPPS. Peptide thioester containing two Tyr(SO3H) residues, prepared via this alternative method, was used as a building block for the one-pot synthesis of the N-terminal extracellular portion of CC-chemokine receptor 5 (CCR5(9–26)) by native chemical ligation (NCL). The two methods for the preparation of peptide thioesters containing Tyr(SO3H) residue(s) described herein are applicable to the synthesis of various types of sulfopeptides.\u0000\u0000<img alt=\"\" src=\"https://www.jstage.jst.go.jp/pub/cpb/72/7/72_c24-00212/figure/72_c24-00212.png\"/>\u0000Fullsize Image","PeriodicalId":9773,"journal":{"name":"Chemical & pharmaceutical bulletin","volume":"55 1","pages":""},"PeriodicalIF":1.7,"publicationDate":"2024-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141772423","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0