Current drug discovery technologies最新文献

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Artemisia Absinthium Extract Attenuates the Quinolinic Acid-Induced Cell Injury in OLN-93 Cells. 苦艾提取物对喹啉酸诱导的OLN-93细胞损伤有减弱作用。
Current drug discovery technologies Pub Date : 2023-01-01 DOI: 10.2174/1570163820666230330105331
Roghayeh Rashidi, Maryam Akaberi, Aida Gholoobi, Hamed Ghazavi, Fatemeh Forouzanfar
{"title":"<i>Artemisia Absinthium</i> Extract Attenuates the Quinolinic Acid-Induced Cell Injury in OLN-93 Cells.","authors":"Roghayeh Rashidi,&nbsp;Maryam Akaberi,&nbsp;Aida Gholoobi,&nbsp;Hamed Ghazavi,&nbsp;Fatemeh Forouzanfar","doi":"10.2174/1570163820666230330105331","DOIUrl":"https://doi.org/10.2174/1570163820666230330105331","url":null,"abstract":"<p><strong>Objective: </strong>Increased quinolinic acid (QA) accumulation has been found in many neurodegenerative diseases. Artemisia absinthium (A. absinthium) has been reported to have neuroprotective and antioxidant activities. This study was designed to evaluate the effect of A. absinthium in QAinduced neurotoxicity in OLN-93 Cells.</p><p><strong>Methods: </strong>OLN-93 cells were cultured in a DMEM medium containing 10% (v/v) fetal bovine serum, 100 units/ml penicillin, and 100 μg/ml streptomycin. The cells were pretreated with concentrations of A. absinthium extract for two h and then exposed to QA for 24 h. After 24 h cell viability, the level of malondialdehyde (MDA), reactive oxygen species (ROS), and apoptotic cells were quantitated in OLN-93 Cells.</p><p><strong>Results: </strong>Pretreatment with A. absinthium extract prevented the loss of cell viability in OLN-93 cells. ROS generation, lipid peroxidation, and apoptosis in QA-injured OLN-93 cells were reduced following A. absinthium extract pretreatment.</p><p><strong>Conclusion: </strong>A. absinthium extract exerts its neuroprotective effect against QA-induced neurotoxicity via oxidative stress and apoptosis modulation.</p>","PeriodicalId":10858,"journal":{"name":"Current drug discovery technologies","volume":"20 4","pages":"e300323215213"},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"9845381","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Exploration of Novel PDEδ Inhibitor Based on Pharmacophore and Molecular Docking against KRAS Mutant in Colorectal Cancer. 基于药效学和分子对接的新型 PDEδ 抑制剂对结直肠癌 KRAS 突变体的作用探索
Current drug discovery technologies Pub Date : 2023-01-01 DOI: 10.2174/1570163820666230416152843
Mohammed Mouhcine, Youness Kadil, Imane Rahmoune, Houda Filali
{"title":"Exploration of Novel PDEδ Inhibitor Based on Pharmacophore and Molecular Docking against KRAS Mutant in Colorectal Cancer.","authors":"Mohammed Mouhcine, Youness Kadil, Imane Rahmoune, Houda Filali","doi":"10.2174/1570163820666230416152843","DOIUrl":"10.2174/1570163820666230416152843","url":null,"abstract":"<p><strong>Aim: </strong>The prenyl-binding protein, phosphodiesterase-δ (PDEδ), is essential for the localization of prenylated KRas to the plasma membrane for its signaling in cancer.</p><p><strong>Introduction: </strong>The general objective of this work was to develop virtually new potential inhibitors of the PDEδ protein that prevent Ras enrichment at the plasma membrane.</p><p><strong>Methods: </strong>All computational molecular modeling studies were performed by Molecular Operating Environment (MOE). In this study, sixteen crystal structures of PDEδ in complex with fifteen different fragment inhibitors were used in the protein-ligand interaction fingerprints (PLIF) study to identify the chemical features responsible for the inhibition of the PDEδ protein. Based on these chemical characteristics, a pharmacophore with representative characteristics was obtained for screening the BindingDB database. Compounds that matched the pharmacophore model were filtered by the Lipinski filter. The ADMET properties of the compounds that passed the Lipinski filter were predicted by the Swiss ADME webserver and by the ProTox-II-Prediction of Toxicity of Chemicals web server. The selected compounds were subjected to a molecular docking study.</p><p><strong>Results: </strong>In the PLIF study, it was shown that the fifteen inhibitors formed interactions with residues Met20, Trp32, Ile53, Cys56, Lys57, Arg61, Gln78, Val80, Glu88, Ile109, Ala11, Met117, Met118, Ile129, Thr131, and Tyr149 of the prenyl-binding pocket of PDEδ. Based on these chemical features, a pharmacophore with representative characteristics was composed of three bond acceptors, two hydrophobic elements, and one hydrogen bond donor. When the pharmacophore model was used in the virtual screening of the Binding DB database, 2532 compounds were selected. Then, the 2532 compounds were screened by the Lipinski rule filter. Among the 2532 compounds, two compounds met the Lipinski's rule. Subsequently, a comparison of the ADMET properties and the drug properties of the two compounds was performed. Finally, compound 2 was selected for molecular docking analysis and as a potential inhibitor against PDEδ.</p><p><strong>Conclusion: </strong>The hit found by the combination of structure-based pharmacophore generation, pharmacophore- based virtual screening, and molecular docking showed interaction with key amino acids in the hydrophobic pocket of PDEδ, leading to the discovery of a novel scaffold as a potential inhibitor of PDEδ.</p>","PeriodicalId":10858,"journal":{"name":"Current drug discovery technologies","volume":"20 4","pages":"e160423215830"},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"10166772","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Designing and In silico Studies of Novel Hybrid of 1,3,4-oxadiazolechalcone Derivatives as EGFR Inhibitors. 1,3,4-恶二唑查尔酮衍生物作为EGFR抑制剂的新型杂化物的设计和计算机研究。
Current drug discovery technologies Pub Date : 2023-01-01 DOI: 10.2174/1570163820666230608120944
Shital M Patil, Bhandari Shashikant
{"title":"Designing and <i>In silico</i> Studies of Novel Hybrid of 1,3,4-oxadiazolechalcone Derivatives as EGFR Inhibitors.","authors":"Shital M Patil,&nbsp;Bhandari Shashikant","doi":"10.2174/1570163820666230608120944","DOIUrl":"10.2174/1570163820666230608120944","url":null,"abstract":"<p><strong>Background: </strong>The tyrosine kinase epidermal growth factor receptor (TK-EGFR) has recently been identified as a useful target for anticancer treatments. The major concern for current EGFR inhibitors is resistance due to mutation, which can be overcome by combining more than one pharmacophore into a single molecule.</p><p><strong>Aim and objective: </strong>In the present study, various hybrids of 1,3,4-oxadiazole-chalcone derivatives were gauged for their EGFR inhibitory potential.</p><p><strong>Method: </strong>The design of 1,3,4-oxadiazole-chalcone hybrid derivatives was carried out and in silico studies, viz., molecular docking, ADME, toxicity, and molecular simulation, were performed as EGFR inhibitors. Twenty-six 1,3,4-oxadiazole-chalcone hybrid derivatives were designed using the combilib tool of the V life software. AutoDock Vina software was used to perform in silico docking studies, while SwissADME and pkCSM tools were used to analyse molecules for ADME and toxicity. Desmond software was used to run the molecular simulation.</p><p><strong>Result: </strong>Around 50% of molecules have shown better binding affinity as compared to standard and cocrystallized ligands.</p><p><strong>Conclusion: </strong>Molecule 11 was found to be a lead molecule that has the highest binding affinity, good pharmacokinetics, good toxicity estimates and better protein-ligand stability.</p>","PeriodicalId":10858,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":"47-59"},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"9598935","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Clinical evidence for effectiveness of herbal medicines in treatment of obsessive- compulsive disorder, a review study. 中药治疗强迫症疗效的临床证据综述。
Current drug discovery technologies Pub Date : 2022-06-16 DOI: 10.2174/1570163819666220616122543
M. Abrishami, Mohamadreza Noras, A. Soltanifar, R. Salari, L. Jarahi, Hamide Khorram Pazhouh
{"title":"Clinical evidence for effectiveness of herbal medicines in treatment of obsessive- compulsive disorder, a review study.","authors":"M. Abrishami, Mohamadreza Noras, A. Soltanifar, R. Salari, L. Jarahi, Hamide Khorram Pazhouh","doi":"10.2174/1570163819666220616122543","DOIUrl":"https://doi.org/10.2174/1570163819666220616122543","url":null,"abstract":"BACKGROUND\u0000Obsessive compulsive disorder (OCD) is a potentially debilitating diseases which affects 1-4% of the general population. It is characterized by the presence of obsessions and compulsions which interfere with the individual's life and functioning. Although conventional treatments such as drug therapies and cognitive behavioral therapy exist for OCD, these treatments are not universally successful and can cause side effects, which has created a demand for alternative and complementary therapies.\u0000\u0000\u0000METHODS\u0000In this review, we summarize randomized clinical trials on effectiveness of herbal medicines for treatment of OCD, and review the possible mechanisms of action for these medicines. A search in Pubmed, Scopus, and The Cochrane Library found 1022 studies, of which 7 were included in our review.\u0000\u0000\u0000RESULTS\u0000The studies that we found were conducted over 6 to 12 weeks, and had an average sample size of 37. The plant species studied included Crocus sativus, Echium amoenum, Hypericum perforatum, Silybum marianum, Valeriana officinalis, and Withania somnifera. The trials demonstrated the effectiveness of all plants as treatments for OCD except H. perforatum. The phytochemicals found in these plants produce their effects through a variety of means such as inhibiting the reuptake of monoamines, GABAergic effects, and neuroendocrine modulation. The small number of studies and their small sample sizes, poor methodology, and lack of replication highlight the need for further research into herbal medicines for treatment of OCD.\u0000\u0000\u0000CONCLUSION\u0000Overall, herbal medicines can be used as stand-alone therapies for OCD or in conjunction with other methods.","PeriodicalId":10858,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-06-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46650783","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
WITHDRAWN: Evaluating the Antifungal Activity of Rumex acetosella,Teucrium polium, and Glycyrrihize globra var. violacca on Pathogenic Dermatophytesand Determining Phenolic Compounds 撤回:评估 Rumex acetosella、Teucrium polium 和 Glycyrrihize globra var. violacca 对致病性皮癣菌的抗真菌活性并测定酚类化合物
Current drug discovery technologies Pub Date : 2022-06-13 DOI: 10.2174/1570163819666220613151858
Zahra Ranjbar, Seyyed Amin Ayatollahi Mousavi, Abbas Aghaei Afshar, Mahboobeh Madani, Pegah Shakib
{"title":"WITHDRAWN: Evaluating the Antifungal Activity of Rumex acetosella,\u0000Teucrium polium, and Glycyrrihize globra var. violacca on Pathogenic Dermatophytes\u0000and Determining Phenolic Compounds","authors":"Zahra Ranjbar, Seyyed Amin Ayatollahi Mousavi, Abbas Aghaei Afshar, Mahboobeh Madani, Pegah Shakib","doi":"10.2174/1570163819666220613151858","DOIUrl":"10.2174/1570163819666220613151858","url":null,"abstract":"<p><p>Since the authors are not responding to the editor’s requests to fulfill the editorial requirement, therefore, the article has been\u0000withdrawn.</p><p><p>Bentham Science apologizes to the readers of the journal for any inconvenience this may have caused.</p><p><p>The Bentham Editorial Policy on Article Withdrawal can be found at https://benthamscience.com/editorial-policies-main.php</p><p><strong>Bentham science disclaimer: </strong>It is a condition of publication that manuscripts submitted to this journal have not been published and will not be simultaneously\u0000submitted or published elsewhere. Furthermore, any data, illustration, structure or table that has been published elsewhere\u0000must be reported, and copyright permission for reproduction must be obtained. Plagiarism is strictly forbidden, and by submitting\u0000the article for publication the authors agree that the publishers have the legal right to take appropriate action against the\u0000authors, if plagiarism or fabricated information is discovered. By submitting a manuscript the authors agree that the copyright\u0000of their article is transferred to the publishers if and when the article is accepted for publication.</p>","PeriodicalId":10858,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"9439768","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Computer-aided identification of cholinergic and monoaminergic inhibitory flavonoids from Hibiscus sabdariffa L. 芙蓉中胆碱能和单胺抑制类黄酮的计算机辅助鉴定。
Current drug discovery technologies Pub Date : 2022-05-25 DOI: 10.2174/1570163819666220525101039
K. Adewole, G. Gyebi, A. A. Ishola, A. Falade
{"title":"Computer-aided identification of cholinergic and monoaminergic inhibitory flavonoids from Hibiscus sabdariffa L.","authors":"K. Adewole, G. Gyebi, A. A. Ishola, A. Falade","doi":"10.2174/1570163819666220525101039","DOIUrl":"https://doi.org/10.2174/1570163819666220525101039","url":null,"abstract":"BACKGROUND\u0000The reduced levels of acetylcholine and dopamine lead to Alzheimer's disease AD and Parkinson disease PD, respectively, due to the action of cholinesterase and monoamine oxidase B.\u0000\u0000\u0000METHODS\u0000Therapeutic options for AD and PD involve respective cholinergic and monoaminergic inhibitors, and considering the adverse outcomes of cholinergic- and monoaminergic- inhibitory therapeutics, phytoconstituents may be promising alternatives. Reports have shown that different extracts of the calyx of Hibiscus sabdariffa exhibit anticholinesterase and monoamine oxidase B inhibitory properties with potential to delay and prevent the development of AD and PD. However, there is limited knowledge on the multitarget cholinergic and monoaminergic inhibitory activities of individual compounds in this plant. Computational methods were used to identify the specific compounds responsible for the observed cholinergic and monoaminergic inhibitory activities of the H. sabdariffa calyx extracts.\u0000\u0000\u0000RESULTS\u0000Results confirm that three flavonoids: delphinidin-3-sambubioside, kaempferol-3-O-rutinoside and quercetin-3-rutinoside showed strong binding affinity with acetylcholinesterase, butyrylcholinesterase and monoamine oxidase B while the observed stability of the ligands-enzymes complexes over the MD simulation time suggests their cholinergic and monoaminergic inhibitory properties.\u0000\u0000\u0000CONCLUSION\u0000The three flavonoids may be responsible for the reported anticholinergic and monoaminergic inhibitory potentials of H. sabdariffa extracts and could be enlisted as multi-target inhibitory agents for cholinesterases and monoamine oxidase B.","PeriodicalId":10858,"journal":{"name":"Current drug discovery technologies","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43149578","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Hypoxic gas therapy in neonatology, considerations in practice. 新生儿缺氧气体治疗的实践思考。
Current drug discovery technologies Pub Date : 2022-05-20 DOI: 10.2174/1570163819666220520112220
A. S. Luis, Theurel Martin Delia Edith, Manrique Hernández Edgar Fabian
{"title":"Hypoxic gas therapy in neonatology, considerations in practice.","authors":"A. S. Luis, Theurel Martin Delia Edith, Manrique Hernández Edgar Fabian","doi":"10.2174/1570163819666220520112220","DOIUrl":"https://doi.org/10.2174/1570163819666220520112220","url":null,"abstract":"BACKGROUND\u0000Adequate oxygenation is essential in sick newborns. Each disease determines the target of oxygenation. Nevertheless, hyperoxia and hypoxia are related to adverse outcomes. Most studies about this had been made in preterm infants or term babies with pulmonary pathology.\u0000\u0000\u0000INTRODUCTION\u0000Congenital heart diseases may also require careful oxygenation control and management of oxygen supply.\u0000\u0000\u0000PROBLEM\u0000Presurgical stabilization of complex heart diseases (CHD) may be difficult, especially after the physiological decrease of pulmonary resistance, which generates pulmonary edema (due to over-circulation) and systemic hypoperfusion. Several strategies have been described to avoid this phenomenon, such as prostaglandin, vasodilators, inotropes, positive airway pressure, and even hypoxic mixture (Inspired fraction of oxygen (FiO2) below 21%).\u0000\u0000\u0000DISCUSSION\u0000The last therapy is mainly used in single ventricular physiology heart diseases, such as the hypoplasic left heart syndrome (HLHS) or systemic ductus dependent flow CHD (interruption of the aortic arch and coarctation of the aorta). Alveolar oxygen affects pulmonary vascular resistance modifying lung flow. This modification could help the stabilization during the presurgical period of complex CDH. Many centers use hypoxic therapy to avoid hypotension, metabolic acidosis, coronary-cerebral ischemia, and liver, renal and intestinal injury. Despite the theoretical benefits, there are doubts about how tissue oxygen supply would change during hypoxic gas ventilation. It is worrisome that FiO2 < 21% causes a decrease in brain oxygenation, adding neurological injury to the already established because of CHD and other not modifiable factors. Brain monitoring through near-infrared spectroscopy (NIRS) during hypoxic gas therapy is mandatory. Recent studies have shown that hypoxic gas ventilation therapy in patients with HLHS in the preoperative period decreases the ratio between systemic and pulmonary circulation (Qp/Qs) but does not improve regional oxygenation delivery. The use of hypoxic gas ventilation therapy continues to be controversial. It could be an option in some complex CHD, mainly HLHS.","PeriodicalId":10858,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-05-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45874901","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Inhibitory effect of standardized extract and fractions of Nigella sativa L. on nystatin susceptible and clinically nystatin resistant Candida albicans. Nigella sativa L.标准化提取物和级分对制霉菌素敏感和临床抗制霉菌素白色念珠菌的抑制作用。
Current drug discovery technologies Pub Date : 2022-05-12 DOI: 10.2174/1570163819666220512164337
Abolfazl Saravani Jahantiq, S. A. Ayatollahi Mousavi, N. Mohamadi, F. Sharififar
{"title":"Inhibitory effect of standardized extract and fractions of Nigella sativa L. on nystatin susceptible and clinically nystatin resistant Candida albicans.","authors":"Abolfazl Saravani Jahantiq, S. A. Ayatollahi Mousavi, N. Mohamadi, F. Sharififar","doi":"10.2174/1570163819666220512164337","DOIUrl":"https://doi.org/10.2174/1570163819666220512164337","url":null,"abstract":"INTRODUCTION\u0000Candidiasis infection is caused by different species of Candida, which are characterized by host immunologic weakness. Black cumin seeds (Nigella sativa) have shown inhibitory effect against Candida albicans. In this work, the inhibitory effect of standardized extract and different fractions of Nigella sativa seeds has been evaluated on nystatin susceptible.\u0000\u0000\u0000MATERIALS AND METHOD\u0000Canadida albicans (NSCA) with ATCC 76645 and nystatin resistant Candida albicans (NRCA) was prepared from oral samples of HIV individuals. Total extract and different fractions of N. sativa were prepared using maceration and sonication methods. Thymoquinone (TQ) content of the plant was determined by spectrophotometry. Total extract (TTE) and the fractions along with TQ were evaluated on NSCA and NRCA by microdilution method. TQ content of the plant was 0.92±0.37g/100g dried extract. The least MIC and MFC (62.5 and 125 µg/ml respectively) was due to petroleum ether fraction (PEF) against both NSCA and NRCA followed by chloroform fraction (CHF) with MIC and MFC of 125 and 250 µg/ml. TQ exhibited MIC of 0.78 and 3.12 µg/ml against NSCA and NRCA which was stronger than nystatin (MIC of 2 and 16 µg/ml). Results Thymoquinone was detected in the PEF and CHF.\u0000\u0000\u0000CONCLUSION\u0000Considering more inhibitory effects of PEF and CHF than TTE, can conclude that active components of the plant belong to non-polar compounds. PEF showed identical inhibitory effect on NRCA and NSCA that is valuable result for finding novel medicaments against NRCA infections.","PeriodicalId":10858,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43349033","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Anti-proliferative activity of labdane diterpenes isolated from Polyalthia cerasoides and their molecular interaction studies. 从多糖中分离的拉丹二萜的抗增殖活性及其分子相互作用研究。
Current drug discovery technologies Pub Date : 2022-05-11 DOI: 10.2174/1570163819666220511154837
Ravi Kumar Ys, Aditya Rao Sj, Usha Bm, B. Verma, Paramesha Mahadevappa
{"title":"Anti-proliferative activity of labdane diterpenes isolated from Polyalthia cerasoides and their molecular interaction studies.","authors":"Ravi Kumar Ys, Aditya Rao Sj, Usha Bm, B. Verma, Paramesha Mahadevappa","doi":"10.2174/1570163819666220511154837","DOIUrl":"https://doi.org/10.2174/1570163819666220511154837","url":null,"abstract":"BACKGROUND\u0000Polyalthia cerasoides is well known for its therapeutic effects and is extensively used by the tribal people of South India and Africa to treat infertility, toothache, inflammation, rheumatism, fever, and to combat stress.\u0000\u0000\u0000OBJECTIVE\u0000In the present research, the anti-proliferative potential of two bioactive compounds isolated from the stem bark of P. cerasoides (Roxb.) Bedd. of the Annonaceae family were investigated.\u0000\u0000\u0000METHOD\u0000The dried stem bark was powdered and subjected to extraction using methanol and further partitioned using petroleum ether. Yellow viscous oil was isolated from the petroleum ether fraction using column and preparative thin-layer chromatography. The chromatographic fractions were characterized using GC-MS. The anti-proliferative effect of the isolated compounds was assessed against HepG2 Cells using MTT- Cytotoxicity test. Furthermore, comparative in-silico docking studies were performed to predict the binding pattern of isolated molecules individually, as well as simultaneously with α, β -tubulin, a critical protein involved in the molecular mechanism of microtubule formation.\u0000\u0000\u0000RESULTS\u0000GC-MS analysis of yellow viscous oil from petroleum fraction confirmed the presence of two labdane diterpenes and were identified as 12E-3,4-Seco-labda-4(18),8(17),12,14-tetraen-3-oic acid , and methyl harvadate C by mass fragmentation analysis. The MTT-Cytotoxicity assay showed the dose-dependent cytotoxic effect on HepG2 Cells. The comparative docking studies of the isolated compounds exhibited strong interactions with the α, β -tubulin protein.\u0000\u0000\u0000CONCLUSION\u0000The prominent anti-proliferative effect exhibited by the isolated compounds along with effective binding to α, β -tubulin protein encourages their future utilization as prominent anti-cancer molecules.","PeriodicalId":10858,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-05-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44973911","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Small Molecule Allosteric Activators of Human Glucokinase for the Treatment of Type 2 Diabetes: Current Status and Challenges. 治疗2型糖尿病的人葡萄糖激酶小分子变构激活剂:现状和挑战。
Current drug discovery technologies Pub Date : 2022-04-16 DOI: 10.2174/1570163819666220416212906
A. Grewal, V. Lather
{"title":"Small Molecule Allosteric Activators of Human Glucokinase for the Treatment of Type 2 Diabetes: Current Status and Challenges.","authors":"A. Grewal, V. Lather","doi":"10.2174/1570163819666220416212906","DOIUrl":"https://doi.org/10.2174/1570163819666220416212906","url":null,"abstract":"<jats:sec>\u0000<jats:title />\u0000<jats:p />\u0000</jats:sec>","PeriodicalId":10858,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2022-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49406697","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
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