Intelligent Pharmacy最新文献

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Synthesis of 1,3-substituted 1H-indazole derivatives and evaluation of anti-inflammatory activity in Sprague Dawley rats 1,3-取代的 1H-indazole 衍生物的合成及对 Sprague Dawley 大鼠抗炎活性的评估
Intelligent Pharmacy Pub Date : 2024-02-01 DOI: 10.1016/j.ipha.2023.09.009
Vishal Kumar , Anup Kumar Sirbaiya , Md Nematullah , Md Faheem Haider , Md Azizur Rahman
{"title":"Synthesis of 1,3-substituted 1H-indazole derivatives and evaluation of anti-inflammatory activity in Sprague Dawley rats","authors":"Vishal Kumar ,&nbsp;Anup Kumar Sirbaiya ,&nbsp;Md Nematullah ,&nbsp;Md Faheem Haider ,&nbsp;Md Azizur Rahman","doi":"10.1016/j.ipha.2023.09.009","DOIUrl":"10.1016/j.ipha.2023.09.009","url":null,"abstract":"<div><p>Indazole is a very significant group of heterocyclics. Aim of the research was thus planned to synthesize novel derivatives of indazole and evaluate their anti-inflammatory activity. Novel compounds of indazole were first synthesized from reaction of 2-chlorobenzonitrile with phenylhydrazine in presence of catalyst potassium <em>t</em>-butoxide (<em>t</em>-BuOK) and the solvent diglyme. Synthesized derivatives of indazole were analyzed by <sup>1</sup><em>H</em>-NMR and MS spectroscopic techniques. All the synthesized derivatives of indazole were evaluated for their anti-inflammatory activity in Sprague Dawley rats by carrageenan-induced rat paw edema method. All the synthesized derivatives of indazole had shown very good activity in both docking and anti-inflammatory activity in rats in comparison to the standard etoricoxib. Compound <strong>1a</strong> in a dose of 30 ​mg/kg body weight had shown most significant inhibition of edema as compared to toxic group and the inhibition was comparable to that of the standard drug, etoricoxib in a dose of 10 ​mg/kg body weight. A convenient means for the synthesis of derivatives of indazole was developed which may find applications in heterocyclic synthesis of derivatives of indazole. Compound <strong>1a</strong> i.e., 3-(4-carboxyphenyl)amino-1-phenyl-1<em>H</em>-indazole had shown best anti-inflammatory activity amongst all the synthesized compounds.</p></div>","PeriodicalId":100682,"journal":{"name":"Intelligent Pharmacy","volume":"2 1","pages":"Pages 40-44"},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2949866X23000850/pdfft?md5=e235c2bc500cfb3fbfb7fb05fea4f757&pid=1-s2.0-S2949866X23000850-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"134918285","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Artificial intelligence in anti-dengue drug development 人工智能在抗登革热药物开发中的应用
Intelligent Pharmacy Pub Date : 2024-02-01 DOI: 10.1016/j.ipha.2024.01.006
M. Roney
{"title":"Artificial intelligence in anti-dengue drug development","authors":"M. Roney","doi":"10.1016/j.ipha.2024.01.006","DOIUrl":"https://doi.org/10.1016/j.ipha.2024.01.006","url":null,"abstract":"","PeriodicalId":100682,"journal":{"name":"Intelligent Pharmacy","volume":"21 6","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139880603","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
Recent advances in anticancer approach of traditional medicinal plants: A novel strategy for cancer chemotherapy 传统药用植物抗癌方法的最新进展:癌症化疗的新策略
Intelligent Pharmacy Pub Date : 2024-02-01 DOI: 10.1016/j.ipha.2024.02.001
Priyanka Bajpai, S. Usmani, Rakesh Kumar, Om Prakash
{"title":"Recent advances in anticancer approach of traditional medicinal plants: A novel strategy for cancer chemotherapy","authors":"Priyanka Bajpai, S. Usmani, Rakesh Kumar, Om Prakash","doi":"10.1016/j.ipha.2024.02.001","DOIUrl":"https://doi.org/10.1016/j.ipha.2024.02.001","url":null,"abstract":"","PeriodicalId":100682,"journal":{"name":"Intelligent Pharmacy","volume":"69 7","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139873111","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
Aceclofenac loaded microspheres: Formulation and evaluation of novel preprogrammed drug delivery for the treatment of arthritis 醋氯芬酸负载微球:用于治疗关节炎的新型预编程给药的制备与评估
Intelligent Pharmacy Pub Date : 2024-02-01 DOI: 10.1016/j.ipha.2023.10.010
Hema Jaiswal , Mohammad Tahir Ansari , Tarique Mahmood , Farogh Ahsan , Vaseem Ahamad Ansari , Usama Ahmad
{"title":"Aceclofenac loaded microspheres: Formulation and evaluation of novel preprogrammed drug delivery for the treatment of arthritis","authors":"Hema Jaiswal ,&nbsp;Mohammad Tahir Ansari ,&nbsp;Tarique Mahmood ,&nbsp;Farogh Ahsan ,&nbsp;Vaseem Ahamad Ansari ,&nbsp;Usama Ahmad","doi":"10.1016/j.ipha.2023.10.010","DOIUrl":"10.1016/j.ipha.2023.10.010","url":null,"abstract":"<div><p>Arthritis is a widespread joint disorder globally, the patient completely dependent on NSAIDs which are administered after a fixed interval to subside the pain. This work aims to establish a preprogrammed drug delivery system of aceclofenac with a predetermined lag time for the treatment of arthritis. This new preprogrammed formulation microsphere reduces the time-dependent dose administration as it steadily releases the drug in the blood circulation reducing side effects and increasing patient compliance. Aceclofenac (ACF) loaded polymer microspheres were prepared by a new emulsification and crosslinking method using glutaraldehyde as cross-linking agent. Microspheres were prepared in 6 batches using different polymers like sodium alginate, guar gum and chitosan, alone, as well as in combinations. The type and quantity of polymers were changed in every batch while the amount of aceclofenac was unvarying. The microspheres were then evaluated for the particle size, drug content, percentage yield, percentage entrapment efficiency and percentage drug release followed by noting the lag time. The microsphere loaded with aceclofenac were formulated and evaluated, the result showed that all the preparations showed a good lag time (2–3 ​h), but chitosan (alone) gave the highest lag time, which fulfills the aim of pre-programmed drug delivery system. Preprogrammed drug release has been achieved from the microspheres over a period of 0–7 ​h, consistent with the demand for chronotherapeutic drug delivery for the treatment of arthritis. The major signification of the preparation technique includes short processing time and the lack of exposure of the ingredients to high temperatures. Aceclofenac-loaded microspheres offer a promising avenue for arthritis treatment, ensuring sustained drug release. Their potential clinical implications include enhanced therapeutic efficacy, reduced side effects, and improved patient compliance. Future directions may involve personalized formulations, targeted delivery systems, and exploring applications beyond arthritis, expanding the scope of this innovative drug delivery approach.</p></div>","PeriodicalId":100682,"journal":{"name":"Intelligent Pharmacy","volume":"2 1","pages":"Pages 69-82"},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2949866X23001016/pdfft?md5=2acb88de8cb2027b64b4d3858b16868f&pid=1-s2.0-S2949866X23001016-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135372139","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
An aqueous extract of Syzygium cumini bark reduces the rate of preterm birth in rats 茜草树皮水提取物可降低大鼠的早产率
Intelligent Pharmacy Pub Date : 2024-02-01 DOI: 10.1016/j.ipha.2023.09.004
M. Ramasamy , Karthikeyan E
{"title":"An aqueous extract of Syzygium cumini bark reduces the rate of preterm birth in rats","authors":"M. Ramasamy ,&nbsp;Karthikeyan E","doi":"10.1016/j.ipha.2023.09.004","DOIUrl":"10.1016/j.ipha.2023.09.004","url":null,"abstract":"<div><p>Preterm delivery is a considerable burden on prenatal healthcare and a major risk factor for neurological impairment and disability. A study looked at whether an aqueous extract of <em>Syzygium cumini</em> (AESC) bark could stop rats from giving birth too early. The DPPH and ABTS radical scavenging assays were used to evaluate the antioxidant activity of AESC in vitro, and the results showed that this extract possesses free radical scavenging activity, which helps to prevent premature labour. A piece of an isolated rat uterus was used for in-vitro pharmacological testing of the AESC at 25 ​mg/ml and 50 ​mg/ml. The extract showed free radical scavenging activity, effectively suppressing uterine contractions by 45.7% and 66.9%, respectively. The researchers concluded that AESC has considerable tocolytic activity, resulting in a decrease in the rate of premature birth. The extract showed no significant adverse effects on mothers or their infants, suggesting it may be a safe option for pregnant individuals seeking to prevent preterm labor. The extract also exhibited a dose-dependent effect, with higher doses resulting in a greater reduction in premature birth rates, further supporting its efficacy as a tocolytic agent.</p></div>","PeriodicalId":100682,"journal":{"name":"Intelligent Pharmacy","volume":"2 1","pages":"Pages 136-143"},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2949866X23000801/pdfft?md5=b4d65d8a3c779869f3e5e52ac804bd50&pid=1-s2.0-S2949866X23000801-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135433951","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Targeting SARS-CoV-2 main protease (Mpro) and human ACE-2: A virtual screening of carotenoids and polyphenols from tomato (Solanum lycopersicum L.) to combat Covid-19 以 SARS-CoV-2 主要蛋白酶 (Mpro) 和人类 ACE-2 为靶标:虚拟筛选番茄(Solanum lycopersicum L.)中的类胡萝卜素和多酚类化合物以对抗 Covid-19
Intelligent Pharmacy Pub Date : 2024-02-01 DOI: 10.1016/j.ipha.2023.10.008
Parvej Ahmad , Sahir Sultan Alvi , Inamul Hasan , M. Salman Khan
{"title":"Targeting SARS-CoV-2 main protease (Mpro) and human ACE-2: A virtual screening of carotenoids and polyphenols from tomato (Solanum lycopersicum L.) to combat Covid-19","authors":"Parvej Ahmad ,&nbsp;Sahir Sultan Alvi ,&nbsp;Inamul Hasan ,&nbsp;M. Salman Khan","doi":"10.1016/j.ipha.2023.10.008","DOIUrl":"10.1016/j.ipha.2023.10.008","url":null,"abstract":"<div><h3>Background</h3><p>Human angiotensin-converting enzyme-2 (ACE-2) and severe acute respiratory syndrome corona virus-2 (SARS-CoV-2) main protease (M<sup>pro</sup>) have been established as the prime targets to restrict viral invasion and replication inside the host, respectively.</p></div><div><h3>Methods</h3><p>The current study delineated the SARS-CoV-2 M<sup>pro</sup> as well as human ACE-2 inhibitory potential of carotenoids and polyphenols from tomato (<em>Solanum lycopersicum</em> L.) via <em>in-silico</em> interaction studies.</p></div><div><h3>Results</h3><p>Our drug-likeness studies showed that the selected carotenoids and polyphenols exhibited acceptable Lipinski’s score and ADME determinants. Further, i<em>n-silico</em> molecular modelling studies revealed that β-carotene, among other carotenoids, topped the binding score (ΔG: −6.75 ​kcal/mol; K<em>i</em>: 11.32 ​μM) against SARS-CoV-2 M<sup>pro</sup>, whereas, cyanidin was the best inhibitor of SARS-CoV-2 M<sup>pro</sup> (−7.24 ​kcal/mol; K<em>i</em>: 4.92 ​μM) amongst polyphenols. Similarly, α-carotene from carotenoids exhibited strongest human ACE-2 inhibitory activity (ΔG: −8.85 ​kcal/mol; K<em>i</em>: 326.13 ​μM), whereas, cyanidin from polyphenols showed best binding affinity against human ACE-2 (ΔG: −7.24 ​kcal/mol; K<em>i</em>: 4.89 ​μM). In contrast, 6-(ethylamino)-pyridine-3-carbonitrile, standard inhibitor of SARS-CoV-2 M<sup>pro</sup>, exhibited comparatively weaker binding (ΔG: −4.78 ​kcal/mol; K<em>i</em>: 267.49 ​μM), whereas, telmisartan (reference ACE-2 inhibitor) also exhibited lesser affinity (ΔG: −6.40 ​kcal/mol; K<em>i</em>: 20.40 ​μM). Further exploration via MDS studies also validated the dynamic behavior and stability of protein-ligand complexes as evident by desirable RMSD, RMSF, Rg, and SASA.</p></div><div><h3>Conclusion</h3><p>The current study established carotenoids and polyphenols from <em>S. lycopersicum</em> L. as finer substitutes of reference standards against SARS-CoV-2 M<sup>pro</sup> and human ACE-2 activity in combating SARS-CoV-2 infection.</p></div>","PeriodicalId":100682,"journal":{"name":"Intelligent Pharmacy","volume":"2 1","pages":"Pages 51-68"},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2949866X23000990/pdfft?md5=1f5af69ec4a7f39b64b5e5511912de3d&pid=1-s2.0-S2949866X23000990-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136056562","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Ziziphus mauritiana: An in-depth review of its medicinal attributes and pharmacological activities 毛蕊花对其药用特性和药理活性的深入研究
Intelligent Pharmacy Pub Date : 2023-12-12 DOI: 10.1016/j.ipha.2023.12.001
Deepak Jha , Pallavi Hangargekar , Md Akbar , Ashish Singh Parihar , Saurabh Kashyap , Amol Joshi , Md Azizur Rahman
{"title":"Ziziphus mauritiana: An in-depth review of its medicinal attributes and pharmacological activities","authors":"Deepak Jha ,&nbsp;Pallavi Hangargekar ,&nbsp;Md Akbar ,&nbsp;Ashish Singh Parihar ,&nbsp;Saurabh Kashyap ,&nbsp;Amol Joshi ,&nbsp;Md Azizur Rahman","doi":"10.1016/j.ipha.2023.12.001","DOIUrl":"10.1016/j.ipha.2023.12.001","url":null,"abstract":"<div><p>The plant species <em>Ziziphus mauritiana</em>, recognized by its common name Indian jujube, is classified within the Rhamnaceae family. It has been widely used in traditional medicine for its therapeutic properties, including the treatment of asthma, anxiety, depression, fever, inflammation, and ulcers. <em>Z. mauritiana</em> parts, such as leaves and fruits, have been traditionally used to treat diarrhea, wounds, abscesses, swelling, gonorrhea, liver diseases, and asthma. <em>Z. mauritiana</em> fruits are widely recognized and valued for their nutritional and nutraceutical properties and are consumed in various forms such as dried, candied, pickled, and juice. The plant exhibits antioxidant activity, and extracts from its fruits, leaves, and seeds have shown promising results in terms of their antioxidant and anticancer activities. Phytochemical studies have identified various compounds in <em>Z. mauritiana</em>, including cyclopeptide alkaloids and lupane and ceanothane triterpenes. This review presents a comprehensive overview of the ethnobotanical uses, traditional medicinal uses, and phytochemical profile of <em>Z. mauritiana</em>, highlighting its potential as a valuable medicinal plant. Further research is warranted to explore its therapeutic potential and develop new pharmaceutical applications based on its bioactive compounds.</p></div>","PeriodicalId":100682,"journal":{"name":"Intelligent Pharmacy","volume":"2 2","pages":"Pages 274-283"},"PeriodicalIF":0.0,"publicationDate":"2023-12-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2949866X23001272/pdfft?md5=1c690ce8c653b1ffcaea22e8b5b5125b&pid=1-s2.0-S2949866X23001272-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138991181","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Molecular docking studies of some benzoxazole and benzothiazole derivatives as VEGFR-2 target inhibitors: In silico design, MD simulation, pharmacokinetics and DFT studies 作为 VEGFR-2 靶点抑制剂的一些苯并恶唑和苯并噻唑衍生物的分子对接研究:硅学设计、MD 模拟、药代动力学和 DFT 研究
Intelligent Pharmacy Pub Date : 2023-12-03 DOI: 10.1016/j.ipha.2023.11.010
Sagiru Hamza Abdullahi , Abu Tayab Moin , Adamu Uzairu , Abdullahi Bello Umar , Muhammad Tukur Ibrahim , Mustapha Tijjani Usman , Nafisa Nawal , Imren Bayil , Talha Zubair
{"title":"Molecular docking studies of some benzoxazole and benzothiazole derivatives as VEGFR-2 target inhibitors: In silico design, MD simulation, pharmacokinetics and DFT studies","authors":"Sagiru Hamza Abdullahi ,&nbsp;Abu Tayab Moin ,&nbsp;Adamu Uzairu ,&nbsp;Abdullahi Bello Umar ,&nbsp;Muhammad Tukur Ibrahim ,&nbsp;Mustapha Tijjani Usman ,&nbsp;Nafisa Nawal ,&nbsp;Imren Bayil ,&nbsp;Talha Zubair","doi":"10.1016/j.ipha.2023.11.010","DOIUrl":"10.1016/j.ipha.2023.11.010","url":null,"abstract":"<div><p>Breast cancer, a deadly disease among women, demands effective interventions due to its global impact, with over one million annual cases. Current anti-breast cancer drugs displays several side effects, also most patients resists to these drugs during early treatment stage. Hence, global search for better drugs with less side effects became necessary. The objective of this study is to identify potential inhibitors of vascular endothelial growth factor receptor-2 (VEGFR-2), a critical target in breast cancer treatment. Molecular docking-based virtual screening of 45 benzoxazole/thiazole derivatives was conducted, followed by molecular dynamics simulations to explore ligand-protein interactions. Seven ligands (compounds 7, 10, 12, 13, 14, 20, and 26) demonstrated superior binding affinities ranging from −157.85 to −173.88 ​kcal/mol (MolDock scores) and −109.96 to −129.23 ​kcal/mol (Re-rank scores) compared to Sorafenib (−156.35 ​kcal/mol MolDock score and −102.63 ​kcal/mol Re-rank score). Compound 7, identified as a potential hit, exhibited stability in a 100-ns dynamic simulation. It was chosen as a template for designing novel inhibitors, resulting in five compounds with improved binding affinities ranging from −177.84 to −184.69 ​kcal/mol (MolDock scores) and −137.34 to −143.44 ​kcal/mol (Re-rank scores). Pharmacological profiling confirmed the drug-like properties of both the potential hit molecules and the designed compounds, with 0–1 violations against Lipinski's rule of five and favorable pharmacokinetics status. Density functional theory (DFT) studies illustrated the reactive nature of the designed compounds. These findings suggest the potential of these molecules as novel VEGFR-2 inhibitors for breast cancer treatment, providing promising prospects for future drug development.</p></div>","PeriodicalId":100682,"journal":{"name":"Intelligent Pharmacy","volume":"2 2","pages":"Pages 232-250"},"PeriodicalIF":0.0,"publicationDate":"2023-12-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2949866X23001247/pdfft?md5=deba183193dcd5333b7237f57dbc3641&pid=1-s2.0-S2949866X23001247-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138614545","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A green alternative: Evaluation of Solanum torvum (Sw.) leaf extract for control of Aedes aegypti (L.) and its molecular docking potential 绿色替代品:评估 Solanum torvum (Sw.) 叶提取物防治埃及伊蚊的效果及其分子对接潜力
Intelligent Pharmacy Pub Date : 2023-11-30 DOI: 10.1016/j.ipha.2023.11.012
R. Murugesan, K. Vasuki, B. Kaleeswaran
{"title":"A green alternative: Evaluation of Solanum torvum (Sw.) leaf extract for control of Aedes aegypti (L.) and its molecular docking potential","authors":"R. Murugesan,&nbsp;K. Vasuki,&nbsp;B. Kaleeswaran","doi":"10.1016/j.ipha.2023.11.012","DOIUrl":"10.1016/j.ipha.2023.11.012","url":null,"abstract":"<div><p>Due to the unavailability of effective vaccines and treatments, mosquito-borne diseases continue to pose a threat to global public health. Insecticide-treated mosquito nets and room sprays have both been successfully treated with plant-based biopesticides to protect people from mosquito bites. The extensive use of chemical pesticides is known to cause serious harm to human and animal health. From this point of view, the demand for plant extracts has recently increased worldwide. The aim of the current study was to determine the effectiveness of a <em>Solanum torvum</em> (Sw.) leaf extract as a larvicidal, adulticidal and <em>in silico</em> study against the mosquito <em>Aedes aegypti</em>. The plant extract from <em>S. torvum</em> was obtained using a simple method. Preliminary qualitative analysis shows the presence of steroids, saponins, phenol, flavonoids, tannins, and anthraquinones in the aqueous leaf extract of <em>S. torvum</em>. A total, 15 compounds were identified using GC–MS. The larvicidal activity, observed during 24-h and 48-h exposure cycles of 4<sup>th</sup> instar larvae, exhibits a maximum (100 ​%) mortality rate at 200 ​μg/ml. The adulticidal activity, observed during the 24-h exposure cycle of adult mosquitoes, exhibits a maximum (92 ​%) mortality rate at 2 ​mg/mL. The molecular docking observation of Protease Sterol Carrier Protein-2 (IPZ4) was noted campesterol had the most favourable docking score with a value of −10. This finding suggests that campesterol may have a high affinity for the target molecule under study. Based on the results, the current study suggests that the use of <em>S. torvum</em> leaf extract could serve as an environmentally friendly alternative to chemical insecticides in controlling mosquito populations and controlling mosquito bone diseases.</p></div>","PeriodicalId":100682,"journal":{"name":"Intelligent Pharmacy","volume":"2 2","pages":"Pages 251-262"},"PeriodicalIF":0.0,"publicationDate":"2023-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2949866X23001260/pdfft?md5=1129f2c43cd836de384217ab5d76f41d&pid=1-s2.0-S2949866X23001260-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139299272","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Towards designing of some potential new autoimmune disorder inhibitors using crystal structures and Hirshfeld surface analyses in combination with molecular docking and molecular dynamics simulations 利用晶体结构和 Hirshfeld 表面分析,结合分子对接和分子动力学模拟,设计一些潜在的新型自身免疫性疾病抑制剂
Intelligent Pharmacy Pub Date : 2023-11-29 DOI: 10.1016/j.ipha.2023.11.008
Emmanuel Israel Edache , Adamu Uzairu , Paul Andrew Mamza , Gideon Adamu Shallangwa , Muhammad Tukur Ibrahim
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