Chemistry & Biodiversity最新文献_第9页

Sesquiterpenes and Lignans From the Branches and Leaves of Wikstroemia micrantha.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-01-27 DOI: 10.1002/cbdv.202500047

Chi Song, Deng-Jian Luo, Xian-Peng Zu, Zhao-Ting Li, Xue-Mei Yang, Wei-Dong Zhang, Xi-Ke Xu, Yun-Heng Shen

引用次数: 0

New α-Glucosidase Inhibitors from Vietnamese Garcinia schomburgkiana Fruits.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-01-27 DOI: 10.1002/cbdv.202403406

Quyen H N Tran, Huong T M Nguyen, Thuy L T Nguyen, Jirapast Sichaem, Lien T M Do

引用次数: 0

Exploring Biophysical and Chemoinformatics Approaches for Interactions of Ionic Liquids With Hemoglobin, DNA, BSA, and HSA.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-01-27 DOI: 10.1002/cbdv.202402781

Sangeeta, Komal Mehra, Anjana Sarkar, Ravi Tomar

{"title":"Exploring Biophysical and Chemoinformatics Approaches for Interactions of Ionic Liquids With Hemoglobin, DNA, BSA, and HSA.","authors":"Sangeeta, Komal Mehra, Anjana Sarkar, Ravi Tomar","doi":"10.1002/cbdv.202402781","DOIUrl":"10.1002/cbdv.202402781","url":null,"abstract":"This review article provides an inclusive overview of the intricate interactions amid ionic liquids (ILs) and essential biomacromolecules, mainly hemoglobin (Hb), bovine serum albumin (BSA), human serum albumin (HSA), and calf thymus-DNA (CT-DNA). ILs have recently become a topic of great attention because of their inimitable physicochemical properties and potential uses in different fields. The review systematically explores the binding mechanisms, thermodynamics, and structural changes induced by ILs on Hb, BSA, HSA, and CT-DNA using spectroscopic, thermodynamic, and computational techniques. The article highlighted various experimental and computational methodologies to explore the interactions between ILs and biomacromolecules. It offers an in-depth analysis of the techniques employed to decode the intricate nature of these molecular associations and the influence of ILs along with their structural characteristics on the conformational stability, activity, and functionality of biomacromolecules. This foundational understanding is essential for advancing research and developing strategies that exploit the distinctive properties of ILs to foster innovative and sustainable applications within the biomedical field.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202402781"},"PeriodicalIF":2.3,"publicationDate":"2025-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143045659","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Phytochemical-Based Drug Discovery for Breast Cancer: Combining Virtual Screening and Molecular Dynamics to Identify Novel Therapeutics.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-01-27 DOI: 10.1002/cbdv.202402864

Trupti Pratik Durgawale, V Rajashakar, Jeetendra Kumar Gupta, S Shakila Banu, Sri Hari Galla, Jyoti Singh, A Anka Rao, P Dharani Prasad, Pritam Bhagawat Chaudhari, Mohammad Rakib Mortuza, Sherouk Hussein Sweilam, Mohammed Asiri, Md Al Amin, Biswajit Kumar Utpal, Badrud Duza Mohammad

{"title":"Phytochemical-Based Drug Discovery for Breast Cancer: Combining Virtual Screening and Molecular Dynamics to Identify Novel Therapeutics.","authors":"Trupti Pratik Durgawale, V Rajashakar, Jeetendra Kumar Gupta, S Shakila Banu, Sri Hari Galla, Jyoti Singh, A Anka Rao, P Dharani Prasad, Pritam Bhagawat Chaudhari, Mohammad Rakib Mortuza, Sherouk Hussein Sweilam, Mohammed Asiri, Md Al Amin, Biswajit Kumar Utpal, Badrud Duza Mohammad","doi":"10.1002/cbdv.202402864","DOIUrl":"https://doi.org/10.1002/cbdv.202402864","url":null,"abstract":"Maternal Embryonic Leucine Zipper Kinase (MELK), a pivotal signaling protein, plays a crucial role in various physiological processes such as cell growth, survival, and differentiation. There is currently a growing interest in MELK as a promising therapeutic target for multiple cancers, including triple-negative breast cancer (TNBC). Exploring MELK as a target offers a prospective strategy to impede cancer progression and enhance the efficacy of conventional anticancer therapies. In this study, we employed a multistep docking procedure to evaluate the anticancer potential of phyto-compounds from the NPACT and PhytoHub databases targeting the MELK protein. The extensive analysis identified five compounds (PHUB000697, PHUB002010, NPACT00373, PHUB002005, and PHUB001739) as potent inhibitors of the MELK protein, exhibiting a docking scores lower than -11 Kcal/mol i.e. -12.90, -12.00, -11.23, -11.19, -11.09, Kcal/mol respectively. PHUB000697 exhibited very crucial interactions with Gly20, Lys40, Cys89, and Glu93 (2.74 Å). To evaluate the stability of protein-ligand interactions in dynamic states, 100 ns molecular dynamics (MD) simulations were conducted using the entire trajectory, revealing a substantial binding affinity for all identified compounds towards the MELK protein. We are aiming to report few in vitro and in vivo studies on these compounds to validate the computational results.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202402864"},"PeriodicalIF":2.3,"publicationDate":"2025-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143045698","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Understanding the Dual Role of Macrophages in Tumor Growth and Therapy: A Mechanistic Review. 了解巨噬细胞在肿瘤生长和治疗中的双重作用：机制综述。

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-01-27 DOI: 10.1002/cbdv.202402976

Muhammad Summer, Saima Riaz, Shaukat Ali, Qudsia Noor, Rimsha Ashraf, Rana Rashad Mahmood Khan

{"title":"Understanding the Dual Role of Macrophages in Tumor Growth and Therapy: A Mechanistic Review.","authors":"Muhammad Summer, Saima Riaz, Shaukat Ali, Qudsia Noor, Rimsha Ashraf, Rana Rashad Mahmood Khan","doi":"10.1002/cbdv.202402976","DOIUrl":"https://doi.org/10.1002/cbdv.202402976","url":null,"abstract":"Macrophages are heterogeneous cells that are the mediators of tissue homeostasis. These immune cells originated from monocytes and are classified into two basic categories, M1 and M2 macrophages. M1 macrophages exhibit anti-tumorous inflammatory reactions due to the behavior of phagocytosis. M2 macrophages or tumor-associated macrophages (TAMs) are the most abundant immune cells in the tumor microenvironment (TME) and have a basic role in tumor progression by interacting with other immune cells in TME. By the expression of various cytokines, chemokines, and growth factors, TAMs lead to strengthening tumor cell proliferation, angiogenesis, and suppression of the immune system which further support invasion and metastasis. This review discusses recent and updated mechanisms regarding tumor progression by M2 macrophages. Moreover, the current therapeutic approaches targeting TAMs, their advantages, and limitations are also summarized, and further treatment approaches are outlined along with an elaboration of the tumor regression role of macrophages. This comprehensive review article possibly helps to understand the mechanisms underlying the tumor progression and regression role of macrophages in a comparative way from a basic level to the advanced one.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202402976"},"PeriodicalIF":2.3,"publicationDate":"2025-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143051828","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Mutations in Aristolochene Synthase Promote Hydroxylation of Aristolochene in Aspergillus oryzae.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-01-27 DOI: 10.1002/cbdv.202402944

Thirat Anumon, Pakorn Wattana-Amorn

引用次数: 0

Chemical Constituents of the Deep-Sea-Derived Fungus Trichoderma simmonsii ZEN3.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-01-25 DOI: 10.1002/cbdv.202500135

Yun-Fei Song, Yuan Wang, Zheng-Biao Zou, Rong Chao, Tai-Zong Wu, Tian-Hua Zhong, A-Long Zhang, Cheng-Hai Gao, Xian-Wen Yang

引用次数: 0

Pyridine Derivatives and Furan Derivatives Identified From the Medicinal Mushroom Irpex lacteus SY1002.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-01-25 DOI: 10.1002/cbdv.202403124

Guihong Yu, Zhaomeng Shang, Wanting Li, Jixing Peng, Xuhua Mo, Song Yang, Lingling Tan

{"title":"Pyridine Derivatives and Furan Derivatives Identified From the Medicinal Mushroom Irpex lacteus SY1002.","authors":"Guihong Yu, Zhaomeng Shang, Wanting Li, Jixing Peng, Xuhua Mo, Song Yang, Lingling Tan","doi":"10.1002/cbdv.202403124","DOIUrl":"10.1002/cbdv.202403124","url":null,"abstract":"Three new pyridine derivatives, irpelactedines A-C (1-3), and a new furan derivative, irpelactedine D (5), along with two structurally related known compounds, irpexidine A (4) and 5-carboxy-2-furanpropanoic acid (6), were isolated from the medicinal fungus Irpex lacteus SY1002. Their structures were elucidated through nuclear magnetic resonance and mass spectral analyses, combined with density functional theory calculations of electronic circular dichroism data. Evaluation of angiotensin-converting enzyme (ACE) inhibitory activity revealed that compounds 1 and 3 displayed moderate inhibition, with IC50 values of 31.49 ± 3.41 and 80.96 ± 6.93 µg/mL, respectively. Molecular docking suggested that compound 1 is bound to the active site of ACE, leading to a reduction in its activity. Furthermore, cytotoxicity and antimicrobial activity tests revealed the low toxicity of these compounds. This is the first report on the ACE inhibitory activity of this class of pyridine derivatives, providing valuable insights into exploring the medicinal potential of I. lacteus and offering a structural template for developing new ACE inhibitors. Future efforts will focus on optimizing their structure and conducting in vivo testing to assess their therapeutic potential.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202403124"},"PeriodicalIF":2.3,"publicationDate":"2025-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143045700","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A Cedrane and a Fusarin From the Algicolous Fungus Fusarium graminearum 12II2N and Response to Mycoparasitism.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-01-25 DOI: 10.1002/cbdv.202500088

Xu-Liang Hou, Yin-Ping Song, Ji-Xue Zou, Nai-Yun Ji

{"title":"A Cedrane and a Fusarin From the Algicolous Fungus Fusarium graminearum 12II2N and Response to Mycoparasitism.","authors":"Xu-Liang Hou, Yin-Ping Song, Ji-Xue Zou, Nai-Yun Ji","doi":"10.1002/cbdv.202500088","DOIUrl":"10.1002/cbdv.202500088","url":null,"abstract":"The fungal genus Fusarium is a treasure-trove of structurally diverse secondary metabolites, contributed greatly by marine-derived strains. A new cedrane sesquiterpene, fusacedrol (1), and a new fusarin member, fusarin M (2), were isolated from Fusarium graminearum 12II2N that was isolated as an endophyte from the marine brown alga Sargassum sp. The planar structures of compounds 1 and 2 were incisively identified by analysis of spectroscopic data, inclusive of NMR and MS, and the relative configurations were ensured by NOESY correlations and a coupling constant. Quantum chemical calculations of specific optical rotations of compound 1 and cedrol solved the absolute configuration of compound 1. Compound 1 represents the first new cedrane derivative with a 5/5/6 tricyclic nucleus from marine-derived fungi, and this skeleton has also been reported rarely from other marine organisms. Compound 2 is an isomer of fusarin Y, and its production could be greatly reduced by coculture with Trichoderma flagellatum 12A1N of the same origin. The two isolates were assayed for inhibiting the bacterium Pseudoalteromonas citrea (bio-02684, a green-spot pathogen of Porphyra), but none of them were active unfortunately.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202500088"},"PeriodicalIF":2.3,"publicationDate":"2025-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143045655","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Exploring Chemical Profiles, Antifeedant, Nematicidal, and Phytotoxic Potentials of Seven Essential Oils From Eucalyptus Species.

IF 2.3 3区化学

Chemistry & Biodiversity Pub Date : 2025-01-25 DOI: 10.1002/cbdv.202402960

Souda Belaid, Azucena Gonzalez-Coloma, Maria Fe Andres, Walid Elfalleh, Sourour Idoudi, Mehrez Romdhane, Ezzeddine Saadaoui

{"title":"Exploring Chemical Profiles, Antifeedant, Nematicidal, and Phytotoxic Potentials of Seven Essential Oils From Eucalyptus Species.","authors":"Souda Belaid, Azucena Gonzalez-Coloma, Maria Fe Andres, Walid Elfalleh, Sourour Idoudi, Mehrez Romdhane, Ezzeddine Saadaoui","doi":"10.1002/cbdv.202402960","DOIUrl":"10.1002/cbdv.202402960","url":null,"abstract":"Leaf essential oils (EOs) of seven Eucalyptus species planted in Southern Tunisia (E. gracilis, E. lesouefii, E. salmonophloia, E. sargentii, E. flocktoniae, E. oleosa, and E. salubris) were screened for their antifeedant, nematicidal, and phytotoxic effects as well as their chemical compositions. The yield of EOs of these species varied from 1.32% ± 0.38% to 4.92%±0.37%. Using gas chromatography mass spectrometry (GC-MS) analysis, 22 compounds were identified, representing 87.16%-96.83% of the total oil content. The main components found in all EOs were 1,8-cineole (38.71%-70.44%), α-pinene (4.40%-8.88%), p-cymene (0.95%-14.99%), pinocarvone (0.17%-3.22%), trans-pinocarveol (1.53%-13.48%), spathulenol (0.18%-5.39%), and globulol (0.22%-6.47%). The insect antifeedant, nematicidal, and phytotoxic effects of these oils against insect pests (Spodoptera littoralis, Myzus persicae, and Rhopalosiphum padi), the root-knot nematode (Meloidogyne javanica), and two plant models (Lolium perenne and Lactuca sativa) were examined. Despite the moderate insect antifeedant activity, the EOs of E. salubris, E. salmonophloia, E. lesouefii, and E. sargentii were the most effective against M. persicae. Significant nematicidal effects were observed for both E. salmonophloia and E. oleosa EOs. Moreover, all Eucalyptus EOs significantly suppressed the root and leaf growth of L. perenne than the root length of L. sativa, indicating that EOs from Eucalyptus possessed an excellent phytotoxic potential.","PeriodicalId":9878,"journal":{"name":"Chemistry & Biodiversity","volume":" ","pages":"e202402960"},"PeriodicalIF":2.3,"publicationDate":"2025-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143045661","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0