Zeitschrift Fur Naturforschung Section C-A Journal of Biosciences最新文献_第3页

Effect of Hibiscus sabdariffa L. leaf flavonoid-rich extract on Nrf-2 and HO-1 pathways in liver damage of streptozotocin-induced diabetic rats. 芙蓉叶黄酮提取物对链脲佐菌素诱导的糖尿病大鼠肝损伤中 Nrf-2 和 HO-1 通路的影响

IF 1.8 4区生物学

Zeitschrift Fur Naturforschung Section C-A Journal of Biosciences Pub Date : 2024-11-20 DOI: 10.1515/znc-2024-0182

Basiru Olaitan Ajiboye, Courage Dele Famusiwa, Damilola Ifeoluwa Oyedare, Biola Paul Julius, Zainab Odunola Adewole, Oluwafemi Adeleke Ojo, Ajoke Fehintola Idayat Akindele, Hossein Hosseinzadeh, Bartholomew I C Brai, Babatunji Emmanuel Oyinloye, Sara Vitalini, Marcello Iriti

{"title":"Effect of Hibiscus sabdariffa L. leaf flavonoid-rich extract on Nrf-2 and HO-1 pathways in liver damage of streptozotocin-induced diabetic rats.","authors":"Basiru Olaitan Ajiboye, Courage Dele Famusiwa, Damilola Ifeoluwa Oyedare, Biola Paul Julius, Zainab Odunola Adewole, Oluwafemi Adeleke Ojo, Ajoke Fehintola Idayat Akindele, Hossein Hosseinzadeh, Bartholomew I C Brai, Babatunji Emmanuel Oyinloye, Sara Vitalini, Marcello Iriti","doi":"10.1515/znc-2024-0182","DOIUrl":"https://doi.org/10.1515/znc-2024-0182","url":null,"abstract":"This study investigated the effects of flavonoid-rich extract from Hibiscus sabdariffa L. (Malvaceae) leaves on liver damage in streptozotocin-induced diabetic rats by evaluating various biochemical parameters, including the molecular gene expressions of Nrf-2 and HO-1 as well as histological parameters. The extract was found to significantly reduce liver damage, as evidenced by lower levels of fragmented DNA and protein carbonyl concentrations. Oxidative stress markers, including malondialdehyde (MDA) level, were also significantly (p < 0.05) decreased, while antioxidant biomarkers, like reduced glutathione (GSH), catalase (CAT), superoxide dismutase (SOD), glutathione peroxidase (GPx), and glutathione-S-transferase (GST) were enhanced. Additionally, the extract improved the activities of key liver enzymes, including phosphatases and transaminases, and increased albumin levels. Importantly, the study demonstrated that H. sabdariffa extract effectively regulated the expression of Nrf-2 and HO-1, suggesting a significant role in mitigating liver damage. These findings highlight its potential as a therapeutic agent for liver protection in diabetic conditions.","PeriodicalId":49344,"journal":{"name":"Zeitschrift Fur Naturforschung Section C-A Journal of Biosciences","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142683141","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Synthesis, in vitro anti-urease, In-silico molecular docking study and ADMET predictions of piperidine and piperazine Morita-Baylis-Hillman Adducts (MBHAs). 哌啶和哌嗪莫里塔-贝利斯-希尔曼加合物（MBHAs）的合成、体外抗尿素酶、硅内分子对接研究和 ADMET 预测。

IF 1.8 4区生物学

Zeitschrift Fur Naturforschung Section C-A Journal of Biosciences Pub Date : 2024-11-20 DOI: 10.1515/znc-2024-0175

Samina Aslam, Sami Ullah, Hamid Ullah, Attiq Ur Rehman, Naqeebullah Khan, Abdul Baqi, Yousaf Khan

{"title":"Synthesis, in vitro anti-urease, In-silico molecular docking study and ADMET predictions of piperidine and piperazine Morita-Baylis-Hillman Adducts (MBHAs).","authors":"Samina Aslam, Sami Ullah, Hamid Ullah, Attiq Ur Rehman, Naqeebullah Khan, Abdul Baqi, Yousaf Khan","doi":"10.1515/znc-2024-0175","DOIUrl":"https://doi.org/10.1515/znc-2024-0175","url":null,"abstract":"The current work describes an efficient synthesis of Morita-Baylis-Hillman adducts (MBHAs) derived heterocycles (4, 5, 6, 7, 10, 11, 12, 13, 16 and 17) with the Michael addition of piperidine and piperazine heterocycles. The comparative studies of mono and di-hydrogen bond acceptors heterocycles, meta and para substituted nitro-phenyl rings and the isolated single diastereomer 16 through molecular docking coupled with in vivo bioactivities displayed very important results. The biological significances were observed against urease enzyme (IC50 = 3.95 ± 0.10 µM). Almost all the compounds displayed different ranges of inhibition potential whereas the di-hydrogen bond donor diastereomers 12 and 13 were found to be highly potent against the targeted enzyme while the remaining had shown comparable inhibitory activity. The diastereomers 12 and 13 were the most active having minimum inhibitory concentration (MIC) IC50 = 3.95 ± 0.10 µM. All the synthesized compounds were docked and their best poses were explored for enhanced biological properties. The molecular docking studies revealed better binding interactions of the ligand with the target enzyme. Furthermore, ADMET predictions were also observed which revealed drug like properties for all the novel MBHAs based piperidine and piperazine derivatives.","PeriodicalId":49344,"journal":{"name":"Zeitschrift Fur Naturforschung Section C-A Journal of Biosciences","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142683179","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Inhibition of pro-inflammatory cytokines by homalolide A and homalomenol A isolated from rhizomes of Homalomena pendula. 高马洛内酯 A 和高马洛内酯 A 对炎性细胞因子的抑制作用，这两种物质是从高马洛内酯的根茎中分离出来的。

IF 1.8 4区生物学

Zeitschrift Fur Naturforschung Section C-A Journal of Biosciences Pub Date : 2024-11-20 DOI: 10.1515/znc-2024-0152

Linh Thuy Khanh Nguyen, Hien Bich Thi Le, Thi Van Anh Tran, Hoai Thi Nguyen, Duc Viet Ho, Hien Minh Nguyen

{"title":"Inhibition of pro-inflammatory cytokines by homalolide A and homalomenol A isolated from rhizomes of Homalomena pendula.","authors":"Linh Thuy Khanh Nguyen, Hien Bich Thi Le, Thi Van Anh Tran, Hoai Thi Nguyen, Duc Viet Ho, Hien Minh Nguyen","doi":"10.1515/znc-2024-0152","DOIUrl":"https://doi.org/10.1515/znc-2024-0152","url":null,"abstract":"Inflammation, a natural process of the innate immune system, involves elevated levels of various proinflammatory mediators, such as, nitric oxide (NO) and prostaglandin (PGE2), cytokines such as interleukin 6 (IL-6), interleukin 10 (IL-10) and tumor necrosis factor alpha (TNF-α), and enzymes including inducible nitric oxide synthase (iNOS) and cyclooxygenase-2 (COX-2). This study investigated the anti-inflammatory effects of homalolide A (1) and homalomenol A (2), two sesquiterpenoids isolated from the rhizome of Homalomena pendula, on lipopolysaccharide (LPS)- stimulated macrophage cells. The results demonstrated that both 1 and 2 dose-dependently inhibited the production of PGE2, TNF-α and IL-6 in RAW 264.7 macrophages. Furthermore, 2 also stimulated IL-10 production in RAW 264.7 cells. Consistent with these findings, these compounds suppressed the LPS-stimulated protein levels of iNOS and COX-2 in RAW 264.7 cells. These results suggested that 1 and 2 could be effective candidates for ameliorating inflammatory-associated complications.","PeriodicalId":49344,"journal":{"name":"Zeitschrift Fur Naturforschung Section C-A Journal of Biosciences","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142683144","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Cytotoxic compounds from Viscum coloratum (Kom.) Nakai. 来自 Viscum coloratum (Kom.) Nakai 的细胞毒性化合物。

IF 1.8 4区生物学

Zeitschrift Fur Naturforschung Section C-A Journal of Biosciences Pub Date : 2024-11-14 DOI: 10.1515/znc-2023-0170

Bo Wen, Juan Pan, Xin Meng, Zhi-Chao Hao, Wei Guan, Hai-Xue Kuang, Qing-Shan Chen, Li-Li Zhang, Yan Liu, Bing-You Yang

引用次数: 0

Phyto-pharmaceuticals as a safe and potential alternative in management of psoriasis: a review. 植物药作为治疗银屑病的安全和潜在替代品：综述。

IF 1.8 4区生物学

Zeitschrift Fur Naturforschung Section C-A Journal of Biosciences Pub Date : 2024-11-12 DOI: 10.1515/znc-2024-0153

Priya Patel, Kevinkumar Garala, Arti Bagada, Sudarshan Singh, Bhupendra G Prajapati, Devesh Kapoor

{"title":"Phyto-pharmaceuticals as a safe and potential alternative in management of psoriasis: a review.","authors":"Priya Patel, Kevinkumar Garala, Arti Bagada, Sudarshan Singh, Bhupendra G Prajapati, Devesh Kapoor","doi":"10.1515/znc-2024-0153","DOIUrl":"https://doi.org/10.1515/znc-2024-0153","url":null,"abstract":"Psoriasis is a chronic autoimmune skin disease with a worldwide prevalence of 1-3 % results from uncontrolled proliferation of keratinocytes and affects millions of people. While there are various treatment options available, some of them may come with potential side effects and limitations. Recent research has shown that using bioactive compounds that originate from natural sources with a lower risk of side effects are relatively useful in safe management psoriasis. Bioactive compounds are molecules that are naturally available with potential therapeutic efficacy. Some of bioactive compounds that have shown promising results in the management of psoriasis include curcumin, resveratrol, quercetin, epigallocatechin-3-gallate, etc., possess anti-inflammatory, antioxidant, immunomodulatory, and anti-proliferative properties, with capabilities to suppress overall pathogenesis of psoriasis. Moreover, these bioactive compounds are generally considered as safe and are well-tolerated, making them potential options for long-term use in the management of various conditions linked with psoriasis. In addition, these natural products may also offer a more holistic approach to treat the disease, which is appealing to many patients. This review explores the bioactive compounds in mitigation of psoriasis either in native or incorporated within novel drug delivery. Moreover, recent clinical findings in relation to natural product usage have been also explored.","PeriodicalId":49344,"journal":{"name":"Zeitschrift Fur Naturforschung Section C-A Journal of Biosciences","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142631350","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Spermidine protects cellular redox status and ionic homeostasis in D-galactose induced senescence and natural aging rat models. 在 D-半乳糖诱导的衰老和自然衰老大鼠模型中，精胺可保护细胞氧化还原状态和离子平衡。

IF 1.8 4区生物学

Zeitschrift Fur Naturforschung Section C-A Journal of Biosciences Pub Date : 2024-10-24 DOI: 10.1515/znc-2024-0181

Sandeep Singh, Avnish Kumar Verma, Geetika Garg, Abhishek Kumar Singh, Syed Ibrahim Rizvi

{"title":"Spermidine protects cellular redox status and ionic homeostasis in D-galactose induced senescence and natural aging rat models.","authors":"Sandeep Singh, Avnish Kumar Verma, Geetika Garg, Abhishek Kumar Singh, Syed Ibrahim Rizvi","doi":"10.1515/znc-2024-0181","DOIUrl":"https://doi.org/10.1515/znc-2024-0181","url":null,"abstract":"Impaired redox homeostasis is an important hallmark of aging. Among various anti-aging interventions, caloric restriction mimetics (CRMs) are the most effective in promoting health and longevity. The potential role of spermidine (SPD) as a CRM in modulating oxidative stress and redox homeostasis during aging remains unclear. This study aimed to investigate the protective effect of SPD in D-galactose (D-gal) accelerated induced senescence model and naturally aged rats. Young male rats (4 months), D-gal induced (500 mg/kg b. w., subcutaneously) aging model and naturally aged (22 months) rats were supplemented with SPD (10 mg/kg b. w., orally) for 6 weeks. The results showed that SPD supplementation suppresses the age induced increase in reactive oxygen species, lipid peroxidation and protein oxidation. Additionally, it increases the level of antioxidants, plasma membrane redox system in erythrocytes and membrane. These results also indicate that membrane transporter activity is correlated with the susceptibility of the erythrocyte towards oxidative damage. We therefore present evidence that SPD improves redox status and membrane impairments in erythrocytes in experimental and naturally aging rat models, however, more research is required to recommend a potential therapeutic role for SPD as an anti-aging intervention strategy.","PeriodicalId":49344,"journal":{"name":"Zeitschrift Fur Naturforschung Section C-A Journal of Biosciences","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142511601","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Molecular detection of Coxiella burnetii infection (Q fever) in livestock in Makkah Province, Saudi Arabia. 沙特阿拉伯麦加省牲畜烧伤柯西氏菌感染（Q 热）的分子检测。

IF 1.8 4区生物学

Zeitschrift Fur Naturforschung Section C-A Journal of Biosciences Pub Date : 2024-10-24 DOI: 10.1515/znc-2024-0126

Hassan M Baroom, Naser A Alkenani, Bassam O Al-Johny, Adi A Almohimeed, Mohammed S Mohammed, Layla A Alshehri, Shaker S Althobaiti, Raga I Omar, Majed A Alshaeri, Saleh M Al-Mmaqar

{"title":"Molecular detection of Coxiella burnetii infection (Q fever) in livestock in Makkah Province, Saudi Arabia.","authors":"Hassan M Baroom, Naser A Alkenani, Bassam O Al-Johny, Adi A Almohimeed, Mohammed S Mohammed, Layla A Alshehri, Shaker S Althobaiti, Raga I Omar, Majed A Alshaeri, Saleh M Al-Mmaqar","doi":"10.1515/znc-2024-0126","DOIUrl":"https://doi.org/10.1515/znc-2024-0126","url":null,"abstract":"The study aims to investigate the prevalence of Q fever in livestock and ticks in Makkah Province, Saudi Arabia, by molecular methods. Using DNA obtained from (40) blood samples, (60) vaginal swabs and ticks (120) samples. Real-time PCR was used to detect the IS1111 insertion sequence of Coxiella burnetii in aborted animals. Among 40 blood samples only one sample of the camel was found to be infected with an overall prevalence of 2.5 %. The highest prevalence (10 %) was recorded in AL-Laith in one camel blood sample out of 10 samples examined. Of 60 vaginal swabs examined for C. burnetii DNA, four samples were found to be infected with an overall prevalence of 6.6 %. The highest prevalence (10 %) was recorded in Makkah in two camel vaginal swabs out of 20 samples, followed by Jeddah and AL-Laith with a prevalence of (5.6 %) by detection of one sample positive out of 18 samples on each of them, while vaginal swabs from AL-Kamil were negative. Three types of ticks were identified Hyalomma dromedarii, Hyalomma anatolicum, and Hyalomma excavatum. H. dromedarii tick is the most common in aborted camels with a prevalence (6.7 %) in Makkah followed by Jeddah (5 %). The findings of this study revealed that C. burnetii infection is prevalent in agricultural animals especially camels and ticks maintained at livestock farms in Makkah Province. However, these animals and ticks may pass on C. burnetii infections to nearby people and other animals in the study area.","PeriodicalId":49344,"journal":{"name":"Zeitschrift Fur Naturforschung Section C-A Journal of Biosciences","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142511599","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Review perspective on advanced nutrachemicals and anterior cruciate ligament rehabilitation. 高级营养化学品与前十字韧带康复的综述。

IF 1.8 4区生物学

Zeitschrift Fur Naturforschung Section C-A Journal of Biosciences Pub Date : 2024-10-24 DOI: 10.1515/znc-2024-0169

Dai Haojie, Sohini Mukherjee, Tanima Bhattacharya

{"title":"Review perspective on advanced nutrachemicals and anterior cruciate ligament rehabilitation.","authors":"Dai Haojie, Sohini Mukherjee, Tanima Bhattacharya","doi":"10.1515/znc-2024-0169","DOIUrl":"https://doi.org/10.1515/znc-2024-0169","url":null,"abstract":"Anterior cruciate ligament (ACL) injuries are prevalent among athletes, necessitating surgical intervention followed by comprehensive rehabilitation. Recently, the integration of nutraceuticals - bioactive compounds from food sources - into rehabilitation protocols has shown promise in enhancing recovery outcomes. This review explores the potential benefits of various nutraceuticals, including omega-3 fatty acids, collagen supplements, vitamin D, glucosamine and chondroitin, curcumin, and branched-chain amino acids (BCAAs), in ACL rehabilitation. These nutraceuticals offer anti-inflammatory properties, support tissue repair, and improve joint and muscle health, which are critical during the rehabilitation process. Despite encouraging preclinical findings, there is a need for robust clinical trials to confirm their efficacy and establish optimal dosages and formulations. Personalized nutrition plans and interdisciplinary collaboration among healthcare providers are essential for optimizing patient care. This perspective underscores the potential of advanced nutraceuticals to revolutionize ACL rehabilitation, paving the way for faster and more effective recovery pathways.","PeriodicalId":49344,"journal":{"name":"Zeitschrift Fur Naturforschung Section C-A Journal of Biosciences","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142511600","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Phytochemical composition, antimicrobial, antioxidant, and wound healing activities of Thermopsis turcica. Thermopsis turcica 的植物化学成分、抗菌、抗氧化和伤口愈合活性。

IF 1.8 4区生物学

Zeitschrift Fur Naturforschung Section C-A Journal of Biosciences Pub Date : 2024-10-21 DOI: 10.1515/znc-2024-0102

Gülçin Akdağ, Ömer Hazman, Laçine Aksoy, Mehmet Savrık, Ahmet Büyükben, Mustafa Abdullah Yılmaz, Oguz Cakir, Recep Kara

{"title":"Phytochemical composition, antimicrobial, antioxidant, and wound healing activities of Thermopsis turcica.","authors":"Gülçin Akdağ, Ömer Hazman, Laçine Aksoy, Mehmet Savrık, Ahmet Büyükben, Mustafa Abdullah Yılmaz, Oguz Cakir, Recep Kara","doi":"10.1515/znc-2024-0102","DOIUrl":"https://doi.org/10.1515/znc-2024-0102","url":null,"abstract":"The antioxidant, antimicrobial, anticarcinogenic, wound healing activities and phenolic substance profile of aqueous extracts prepared using branch, leaf, flower parts and above-ground parts of Thermopsis turcica were determined in the study. The analyses indicate that the total phenolic substance contents and total antioxidant status are higher in the mix, flower, and leaf extracts. The extracts reduced cell viability in HGF cells more than in A549 cells. It shows that the extract has low anticarcinogenic activity in A549 cells. Flower extract had the highest wound closure rate. Quinic acid, cyranoside and luteolin were found in high concentrations in all extracts with LC/ESI-MS/LC analysis. It has been determined that the flower extract of the species is the most critical part showing antioxidant, antimicrobial, cytotoxic and wound healing properties. While the leaf and mix extracts stand out with their antioxidative and antimicrobial properties, the branch extract is effective in wound healing.","PeriodicalId":49344,"journal":{"name":"Zeitschrift Fur Naturforschung Section C-A Journal of Biosciences","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142478913","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

In silico DFT and molecular modeling of novel pyrazine-bearing thiazolidinone hybrids derivatives: elucidating in vitro anti-cancer and urease inhibitors. 新型吡嗪噻唑烷酮杂化衍生物的硅学 DFT 和分子建模：阐明体外抗癌和尿素酶抑制剂。

IF 1.8 4区生物学

Zeitschrift Fur Naturforschung Section C-A Journal of Biosciences Pub Date : 2024-10-01 DOI: 10.1515/znc-2024-0103

Shoaib Khan, Rafaqat Hussain, Yousaf Khan, Tayyiaba Iqbal, Saeed Anwar, Tariq Aziz, Metab Alharbi

{"title":"In silico DFT and molecular modeling of novel pyrazine-bearing thiazolidinone hybrids derivatives: elucidating in vitro anti-cancer and urease inhibitors.","authors":"Shoaib Khan, Rafaqat Hussain, Yousaf Khan, Tayyiaba Iqbal, Saeed Anwar, Tariq Aziz, Metab Alharbi","doi":"10.1515/znc-2024-0103","DOIUrl":"https://doi.org/10.1515/znc-2024-0103","url":null,"abstract":"In the present work, one of the leading health issues i.e. cancer was targeted by synthesizing and biologically investigating the potential of pyrazine-based thiazolidinone derivatives (1-13). The basic structure of the synthesized compounds was determined using a variety of spectroscopic techniques, including 1H NMR, 13C NMR, and HREI-MS. These scaffolds were studied for their biological profiles as anti-cancer as well as anti-urease agents. The biological effectiveness of these compounds was compared using the reference tetrandrine (IC50 = 4.50 ± 0.20 µM) and thiourea (IC50 = 5.10 ± 0.10 µM), respectively. Among novel compounds, scaffold 3, 6, 7 and 10 demonstrated an excellent potency with highest inhibitory potential (IC50 = 1.70 ± 0.10 and 1.30 ± 0.20 µM), (IC50 = 4.20 ± 0.10 and 5.10 ± 0.30 µM), (IC50 = 2.10 ± 0.10 and 3.20 ± 0.20 µM) and (IC50 = 2.70 ± 0.20 and 4.20 ± 0.20 µM), respectively, out of which scaffold 3 emerged as the leading compound due to the presence of highly reactive -CF3 moiety which interacts via hydrogen bonding. Molecular docking investigations of the potent compounds was also carried out which revealed the binding interactions of ligands with the active sites of enzyme. Moreover, the electronic properties, nucleophilic and electrophilic sited of the lead compounds were also studied under density functional theory (DFT).","PeriodicalId":49344,"journal":{"name":"Zeitschrift Fur Naturforschung Section C-A Journal of Biosciences","volume":" ","pages":""},"PeriodicalIF":1.8,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142330898","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0