Current drug discovery technologies最新文献

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An Approach to Drug Discovery via Ethnopharmacology and Sustainable Agriculture. 基于民族药理学和可持续农业的药物发现方法。
Current drug discovery technologies Pub Date : 2025-09-08 DOI: 10.2174/0115701638386326250824120926
Harpreet Singh, Y P Singh, Amit Anand, Arun Kumar Mishra, Arvind Kumar, Shivani Chopra, Hitesh Chopra
{"title":"An Approach to Drug Discovery via Ethnopharmacology and Sustainable Agriculture.","authors":"Harpreet Singh, Y P Singh, Amit Anand, Arun Kumar Mishra, Arvind Kumar, Shivani Chopra, Hitesh Chopra","doi":"10.2174/0115701638386326250824120926","DOIUrl":"https://doi.org/10.2174/0115701638386326250824120926","url":null,"abstract":"<p><p>Ethnopharmacology is the study of traditional medicinal knowledge and its application in modern drug discovery. It combines ethnobotanical insights with scientific research to identify bio-active compounds with therapeutic potential. Sustainable agriculture refers to farming practices that maintain ecological balance, support biodiversity, and ensure the long-term availability of resources. Integrating these fields can enhance drug discovery while preserving medicinal plants and promoting environmental sustainability. This review examines the collaboration between ethnopharmacology and sustainable agriculture in advancing drug discovery, conservation, and global food security. This review examines the role of ethnopharmacology in drug discovery, analyzing traditional medicinal practices, bioactivity-guided fractionation, and metabolomic profiling. It also investigates sustainable agriculture techniques, including organic farming, controlled cultivation, and conservation strategies for medicinal plants. Data were collected from peer-reviewed literature using sources such as Google Scholar, PubMed, Scopus, and journal databases like ScienceDirect. Ethnopharmacology has con-tributed to the discovery of key drugs with anticancer, anti-inflammatory, and antimicrobial proper-ties. Sustainable agriculture ensures a steady supply of medicinal plants while optimizing their bio-active compound production through improved cultivation techniques. The combination of these ap-proaches strengthens drug discovery efforts and supports ecological conservation. Integrating eth-nopharmacology with sustainable agriculture is a promising strategy for developing new drugs while protecting natural resources. Future research should focus on innovative cultivation techniques, com-munity-led conservation efforts, and advanced analytical methods to enhance the discovery of new drugs. The adoption of agroecological practices, technological advancements, and policy support will be crucial in ensuring sustainable and equitable benefits for healthcare and agriculture. Bridging tra-ditional knowledge with scientific research will foster new therapeutic discoveries while promoting environmental sustainability.</p>","PeriodicalId":93962,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-09-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145031440","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
Bioactive Furan Derivatives from Streptomyces sp. VITGV100: Insights from in silico Docking and ADMET Profiling. 链霉菌(Streptomyces sp. VITGV100)的生物活性呋喃衍生物:来自硅对接和ADMET分析的见解。
Current drug discovery technologies Pub Date : 2025-09-08 DOI: 10.2174/0115701638385345250823082426
Madhuri Mukindrao Moon, John Godwin Christopher
{"title":"Bioactive Furan Derivatives from Streptomyces sp. VITGV100: Insights from in silico Docking and ADMET Profiling.","authors":"Madhuri Mukindrao Moon, John Godwin Christopher","doi":"10.2174/0115701638385345250823082426","DOIUrl":"https://doi.org/10.2174/0115701638385345250823082426","url":null,"abstract":"<p><strong>Introduction: </strong>Streptomyces species have complex genomes, including various biosynthetic gene clusters, frequently responsible for producing antibacterial and bioactive secondary metabolites under certain environmental conditions. To assess the impact of Magnesium and Iron on Streptomyces sp. VITGV100 secondary metabolite production and bioactivity, including molecular docking studies to predict their therapeutic potential.</p><p><strong>Methods: </strong>Streptomyces sp. VITGV100 was grown in a nutrient broth supplemented with Magnesium and Iron elicitors. The secondary metabolites were analyzed for antioxidant activity via 2,2-diphenyl-1-picrylhydrazyl radical scavenging activity, antimicrobial activity against Escherichia coli and Bacillus subtilis, and molecular docking studies of selected compounds.</p><p><strong>Results: </strong>Magnesium and Iron supplementation elevated the production of metabolites with antioxidant activity (90% scavenging, IC50 value 0.025 mg/ml) at 6 mg/ml of Magnesium, and antimicrobial properties show the highest inhibition zone of 23 mm against Escherichia coli. Statistical analysis showed significant differences (p < 0.05) through two-way ANOVA. Docking study revealed substantial binding energy, supported by favorable Chemical Absorption, Distribution, Metabolism, Excretion, and Toxicity profiles.</p><p><strong>Discussion: </strong>Magnesium and iron elicitation in Streptomyces sp. VITGV100 significantly enhances its antioxidant and antibacterial capabilities. Strong bioactivity and in-silico study confirmed. Although results lack in vivo efficacy and mechanistic insights, they are consistent with previous studies on trace element-induced metabolite synthesis. Clinical evaluations and mechanistic investigations of the discovered bioactive compounds should be prioritized.</p><p><strong>Conclusion: </strong>Magnesium and Iron significantly improve the synthesis of bioactive compounds in Streptomyces sp. VITGV100, showing strong antioxidant and antimicrobial activities of these metabolites, combined with promising docking and ADMET profiles, shows promising therapeutic potential.</p>","PeriodicalId":93962,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-09-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145031476","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
Basil (Ocimum basilicum): A Natural Approach to Skin Care and Its Cosmeceutical Potential. 罗勒(Ocimum basilicum):一种天然的护肤方法及其药妆潜力。
Current drug discovery technologies Pub Date : 2025-08-27 DOI: 10.2174/0115701638372091250812093301
Divyanshi Gupta, Harshit Chaurasia, Shivam Verma, Shreya Gupta, Vaishnavi Chauhan, Ankita Wal
{"title":"Basil (Ocimum basilicum): A Natural Approach to Skin Care and Its Cosmeceutical Potential.","authors":"Divyanshi Gupta, Harshit Chaurasia, Shivam Verma, Shreya Gupta, Vaishnavi Chauhan, Ankita Wal","doi":"10.2174/0115701638372091250812093301","DOIUrl":"https://doi.org/10.2174/0115701638372091250812093301","url":null,"abstract":"&lt;p&gt;&lt;strong&gt;Introduction: &lt;/strong&gt;Basil, an indigenous medicinal herb, is widely used in traditional medicine for its therapeutic and cosmetic benefits. Its properties include reducing oxidative stress, increasing melatonin production, protecting cells from free radical damage, and protecting the skin. Basil can be incorporated into daily skincare routines to address various skin conditions and promote overall health. This study examines the role of Basil in skin health, focusing on its antioxidant, antiinflammatory, antimicrobial, hydrating, and moisturizing properties. It examines its bioactive compounds and their impact on molecular pathways, such as NF-κB, MAPK, and COX-LOX, in reducing oxidative stress and inflammation. Additionally, it highlights Basil's potential as an anti-aging agent and its applications in skincare products.&lt;/p&gt;&lt;p&gt;&lt;strong&gt;Method: &lt;/strong&gt;The data were gathered from various research studies and meta-analyses on basil cosmetics applications, sourced from multiple databases between 1999 and 2025, including PubMed, ScienceDirect, SpringerLink, Wiley Online Library, Elsevier, Nature, ResearchGate, and Google Scholar.&lt;/p&gt;&lt;p&gt;&lt;strong&gt;Result: &lt;/strong&gt;Basil enhances skin health through its antioxidant, anti-inflammatory, antimicrobial, hydrating, and moisturizing effects. Its bioactive compounds, including flavonoids, phenolic acids, and terpenes, help neutralize ROS and RNS, preventing oxidative damage and inflammation. By modulating key inflammatory pathways, such as NF-κB, MAPK, and COX-LOX, Basil reduces proinflammatory cytokines and inhibits inflammatory mediators. These mechanisms contribute to its anti-aging and skin-protective properties, making it beneficial for various skincare applications.&lt;/p&gt;&lt;p&gt;&lt;strong&gt;Discussion: &lt;/strong&gt;Basil is an indigenous herb with significant therapeutic potential. Traditionally, it has been used to manage various skin conditions, including acne and eczema. Studies have highlighted its anti-inflammatory and antioxidant properties, primarily due to its ability to inhibit the generation of free radicals. Additionally, Basil exhibits potent antimicrobial activity, attributed to the presence of essential oils that disrupt microbial cell membranes, inhibit biofilm formation, increase membrane permeability, and lead to intracellular leakage. Owing to these multifaceted properties, Basil holds promise for use in dermatological applications and cosmetic formulations.&lt;/p&gt;&lt;p&gt;&lt;strong&gt;Conclusion: &lt;/strong&gt;Basil, a popular herb in various cultures, has antioxidant properties and is used in traditional medicine, skincare, and beauty treatments. Its essential oils, including linalool, estragole, and eugenol, have anti-aging, antifungal, and antibacterial properties. Basil's complex phytochemical composition makes it an excellent component for skincare, hair care, and dental care products. Its bioactive compounds neutralize reactive oxygen species and reactive nitrogen species, preventing oxidative damage ","PeriodicalId":93962,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145002283","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
Artificial Intelligence in Pharmaceutical Drug Development: Transforming Formulation and Innovation. 药物开发中的人工智能:改变配方和创新。
Current drug discovery technologies Pub Date : 2025-08-25 DOI: 10.2174/0115701638388052250724070324
Dushyant, Smita Narwal, Vishakha Saini, Ashwani K Dhingra, Jagdeep Singh, Jasmeen, Rupa Devi, Shabnam
{"title":"Artificial Intelligence in Pharmaceutical Drug Development: Transforming Formulation and Innovation.","authors":"Dushyant, Smita Narwal, Vishakha Saini, Ashwani K Dhingra, Jagdeep Singh, Jasmeen, Rupa Devi, Shabnam","doi":"10.2174/0115701638388052250724070324","DOIUrl":"https://doi.org/10.2174/0115701638388052250724070324","url":null,"abstract":"<p><p>Artificial intelligence (AI) has developed into a powerful tool that employs human knowledge to swiftly resolve complex issues. Significant advancements in computer learning and artificial intelligence present a revolutionary opportunity for pharmaceutical formulation, drug dis-covery, and dosage form testing. AI algorithms would analyze a tremendous amount of biological reference data, such as proteomics and genomes, to assist researchers in identifying target diseases and predicting their possible interactions with proposed approaches to treatment. Just such focused and efficient drug development significantly augments the likelihood of acquiring drug approvals. AI may add, at the same time, develop costs and streamline research and development processes. Clas-sical machine learning techniques help not only in designing the experiment but also significantly in predicting the pharmacokinetics and toxicity of new drugs. This ability reduces the need for expen-sive, time-consuming animal testing by selection with optimization of lead compounds. Personalized medical strategies based on actual patient data assessments by algorithms such as those of AI may benefit patients through increased treatment adherence and outcomes. The review covers many ap-plications of AI for process optimization, testing, drug delivery dosage form design, and drug discov-ery. This study underlines the benefits brought by numerous types of techniques based on AI in phar-maceutical technology. However, there are exciting prospects to enhance patient care and medication development processes because of the pharmaceutical industry's continuous investment in and re-search into AI.</p>","PeriodicalId":93962,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144983776","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
Quantum Computing in Drug Discovery Techniques, Challenges, and Emerging Opportunities. 量子计算在药物发现技术、挑战和新兴机遇中的应用。
Current drug discovery technologies Pub Date : 2025-08-25 DOI: 10.2174/0115701638371707250729040426
Virendra S Gomase, Arjun P Ghatule, Rupali Sharma, Suchita P Dhamane
{"title":"Quantum Computing in Drug Discovery Techniques, Challenges, and Emerging Opportunities.","authors":"Virendra S Gomase, Arjun P Ghatule, Rupali Sharma, Suchita P Dhamane","doi":"10.2174/0115701638371707250729040426","DOIUrl":"https://doi.org/10.2174/0115701638371707250729040426","url":null,"abstract":"<p><strong>Introduction: </strong>Quantum computing represents a transformative advancement in computational science, with applications in drug discovery, molecular interaction simulation, drug-target binding optimization, and the analysis of complex biological data at unprecedented speeds and accuracy. Quantum computing emerges as a powerful tool to accelerate the development of new therapeutics, drug design, and the simulation of complex chemical interactions, including personalized medicine strategies. The objective of this study is to explore the potential of quantum computing in drug discovery and development, highlighting its ability to reduce time and costs while accelerating the identification of promising drug candidates.</p><p><strong>Methods: </strong>Quantum computing algorithms, such as Grover's algorithm and the Variational Quantum Eigensolver (VQE), are utilized to simulate molecular interactions of drugs and optimize drug design. In case studies, such as IBM's use of VQE for molecular simulations, these technologies demonstrate their effectiveness.</p><p><strong>Results: </strong>Quantum computing has shown promise in addressing several technological barriers, such as lengthy development timelines and high costs. Additionally, demonstrated success in molecular simulations and solving challenges during the drug development process. However, challenges related to error rates, qubit coherence, and regulatory compliance remain.</p><p><strong>Discussion: </strong>This study examines the applications of quantum computing in drug discovery, highlighting key techniques such as quantum simulation, quantum machine learning, and optimization algorithms. Quantum computing is crucial for interdisciplinary collaboration among quantum physicists, computational chemists, biologists, and pharmaceutical professionals, as it is essential to overcoming these obstacles and realizing the full potential of quantum technologies in medicine.</p><p><strong>Conclusion: </strong>Quantum computing holds great potential in drug discovery and development, offering accelerated, more accurate, and lower-cost research avenues, particularly in complex areas such as protein folding prediction and personalized medicine. This new paradigm has tremendous potential for guiding the future of pharmaceutical development and patient-focused medicine.</p>","PeriodicalId":93962,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144983732","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
Emerging Frontiers in Disease Modelling: Data to Drug Discovery in Bioinformatics in Precision Medicine and Health Science. 疾病建模的新兴前沿:精准医学和健康科学生物信息学中药物发现的数据。
Current drug discovery technologies Pub Date : 2025-08-25 DOI: 10.2174/0115701638430319250815102910
Dibyajit Lahiri, Debasmita Bhattacharya, Moupriya Nag
{"title":"Emerging Frontiers in Disease Modelling: Data to Drug Discovery in Bioinformatics in Precision Medicine and Health Science.","authors":"Dibyajit Lahiri, Debasmita Bhattacharya, Moupriya Nag","doi":"10.2174/0115701638430319250815102910","DOIUrl":"https://doi.org/10.2174/0115701638430319250815102910","url":null,"abstract":"","PeriodicalId":93962,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144983811","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
Current 3D Printing Technologies and Their Potential Applications in Drug Delivery, Personalized Medicine & Pharmaceutical Sciences. 当前3D打印技术及其在药物输送、个性化医疗和制药科学方面的潜在应用。
Current drug discovery technologies Pub Date : 2025-08-22 DOI: 10.2174/0115701638392138250722112310
Virendra S Gomase, Arjun P Ghatule, Rupali Sharma, Sarang Pathak
{"title":"Current 3D Printing Technologies and Their Potential Applications in Drug Delivery, Personalized Medicine & Pharmaceutical Sciences.","authors":"Virendra S Gomase, Arjun P Ghatule, Rupali Sharma, Sarang Pathak","doi":"10.2174/0115701638392138250722112310","DOIUrl":"https://doi.org/10.2174/0115701638392138250722112310","url":null,"abstract":"&lt;p&gt;&lt;strong&gt;Introduction: &lt;/strong&gt;Pharmaceutical 3D printing has become a revolutionary technique that is revolutionizing drug research, personalized treatment, and medication delivery methods. This article examines how accurate dosing, complicated drug delivery methods, and personalized drug formulations are made possible by 3D printing, which helps the pharmaceutical sector overcome major obstacles. 3D printing opens the door to more efficient and patient-specific treatments by personalizing therapies and accelerating the development process. The purpose of this study is to explore the potential applications of current 3D printing technologies in drug delivery, personalized medicine, and pharmaceutical sciences to enhance treatment results and patient care.&lt;/p&gt;&lt;p&gt;&lt;strong&gt;Method: &lt;/strong&gt;The latest advancements in 3D printing technology utilized in the pharmaceutical sector were thoroughly examined. The main techniques studied are fused deposition modelling (FDM), stereolithography (SLA), and selective laser sintering (SLS), with a focus on their usage in the production of drug delivery devices, customized dosage forms, and bioprinted tissues. The study also looked at a range of materials, i.e., hydrogels, bioinks, and polymers, to assess their suitability for use in pharmaceutical applications.&lt;/p&gt;&lt;p&gt;&lt;strong&gt;Results: &lt;/strong&gt;The findings demonstrate significant advancements in the creation of customized pharmaceutical formulations which may be 3D printed to allow for exact dosages and modified release patterns. Additionally, bioprinting has demonstrated promise in regenerative medicine and tissue engineering. 3D printing is speeding up the creation of intricate drug delivery systems, like implants and patches, which improve treatment results and patient adherence in spite of technological and legal obstacles.&lt;/p&gt;&lt;p&gt;&lt;strong&gt;Discussion: &lt;/strong&gt;This study highlights the transformative role of 3D printing in pharmaceutical sciences, particularly in enabling personalized medicine and advanced drug delivery systems. 3D printing techniques like FDM, SLA, and SLS have shown promising applications in producing customized dosage forms and complex drug delivery devices. The ability to tailor medications to individual patient needs enhances therapeutic outcomes and minimizes side effects. 3D printing has emerged as a potential tool in regenerative medicine and patient-specific solutions.&lt;/p&gt;&lt;p&gt;&lt;strong&gt;Conclusion: &lt;/strong&gt;Pharmaceutical 3D printing offers ground-breaking potential for customized treatment and medication creation. It enables the development of solutions that are tailored to the requirements of every patient, increasing therapeutic efficacy and minimizing adverse effects. Even if there are still issues, mainly with scalability and regulatory compliance, continuous improvements in materials and technology hold out the possibility of growing its use in healthcare. With its patient-centered, effective, and creative pharmaceutical production","PeriodicalId":93962,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144983809","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
In silico Analysis to Search for an Alternative Inhibitor of Biofilm Production by Helicobacter pylori. 寻找幽门螺杆菌生物膜生产替代抑制剂的硅片分析。
Current drug discovery technologies Pub Date : 2025-08-04 DOI: 10.2174/0115701638369494250723071458
Debasmita Bhattacharya, Jai Gupta, Avi Gupta, Moupriya Nag, Dibyajit Lahiri, Debanjan Mitra
{"title":"In silico Analysis to Search for an Alternative Inhibitor of Biofilm Production by Helicobacter pylori.","authors":"Debasmita Bhattacharya, Jai Gupta, Avi Gupta, Moupriya Nag, Dibyajit Lahiri, Debanjan Mitra","doi":"10.2174/0115701638369494250723071458","DOIUrl":"https://doi.org/10.2174/0115701638369494250723071458","url":null,"abstract":"<p><strong>Introduction: </strong>Antibiotic Resistance is a growing concern in the current world. Regarding this, Helicobacter pylori is known to be present in the digestive tracts of human beings. In some people, the infection leads to stomach cancer. With the increasing problem of Antibiotic resistance, reports show that drugs are no longer working with the same efficacy rate as they used to. The present work is a study of the two-component Acid-Response System (ArsRS) protein, one of the key pro-teins involved in biofilm formation by H. pylori.</p><p><strong>Methods: </strong>In this study, an overall bioinformatics analysis was conducted of the bioactive compound, along with some FDA-approved drugs, to identify potential novel treatments for diseases associated with H. pylori. The molecular docking studies have been done with common drugs that are used for the treatment of the infection caused by H. pylori as Amoxicillin, Clarithromycin, Tetracycline, Levofloxacin, Metronidazole, Omeprazole, and Rabeprazole. Another aspect of the current study was to investigate the potential for national compounds such as Quercetin, α-mangostin, Phytol, Liquiri-tin, and D-mannitol as an alternative therapeutic agent. ADMET Analysis and toxicity assessment were done to check the pharmacokinetics of the bioactive compounds. An in silico investigation of the H. pylori protein revealed its stability and compactness.</p><p><strong>Results: </strong>A Higher number of intra-protein interactions increases the stability of H. pylori protein. Liquiritin emerged as an active molecule that can be used for inhibiting H. pylori biofilms. The FDA-approved drug Clarithromycin showed the highest binding energy among the synthetic group.</p><p><strong>Discussions: </strong>The target protein's structural and sequential analysis demonstrated how the correct number of amino acids boosts the protein's stability. The ability of bioactive chemicals to function as medications is indicated by their drug-likeness characteristics. According to toxicity evaluation, they do not have any serious effects when they come into contact with people through the environment. Liquiritin and Clarithromycin were the two top compounds that appeared as the best inhibitors.</p><p><strong>Conclusions: </strong>Bioactive compounds that can be used as drugs. This work will also be beneficial for the development of synthetic drugs.</p>","PeriodicalId":93962,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-08-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144791114","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
Antibacterial Investigation of Saharan Propolis Coating on Conventional Surgical Threads. 撒哈拉蜂胶涂层在常规手术螺纹上的抗菌研究。
Current drug discovery technologies Pub Date : 2025-07-29 DOI: 10.2174/0115701638388845250713160905
Moussa Ahmed, Salima Bacha, Baghdad Khiati
{"title":"Antibacterial Investigation of Saharan Propolis Coating on Conventional Surgical Threads.","authors":"Moussa Ahmed, Salima Bacha, Baghdad Khiati","doi":"10.2174/0115701638388845250713160905","DOIUrl":"10.2174/0115701638388845250713160905","url":null,"abstract":"<p><strong>Background: </strong>Conventional surgical threads (CST) are often colonized with drug-resistant polymicrobial biofilms.However, such bioactive agent-incorporated CST are needed to solve this problem.The aim of this study was to develop a coating for CST consisting of the antibacterial Etha-nolic Extract of Sahara Propolis (EESP) as a release topical delivery system for treating wounds, characterize the EESP and study the release profiles and antibacterial activity of EESP-CST against S. aureus and P. aeruginosa.</p><p><strong>Methods: </strong>The chemical profiles of the samples were assessed by X-ray powder diffraction (XRD), Fourier-transform infrared (FT-IR) and 1H and 13C nuclear magnetic resonance (NMR) spectroscopy. The release profiles were measured in Mueller-Hinton broth (MHB) with different time 0, 30, 45, 60, 90min and 24h. Antibacterial activity was carried out through the agar diffusion method in Mueller-Hinton Agar (MHA).</p><p><strong>Results: </strong>According to the FTIR, 1H and 13C NMR analysis, the EESP through its various peaks and the various functional groups were detected. Besides, the propolis powder showed a very low degree of crystalline material (amorphous structure) as observed by X-ray powder diffraction. Exposure to EESP-CST short-term resulted in a significant reduction in absorbance at 90 min of exposure for S. aureus in MHB. In addition, the EESP-CST has not shown any significant reduction in absorbance after on for P. aeruginosa in absorbance at 90 min. However, its antibacterial ability gradually de-creases after 90 min for the two bacteria tested. In MHA the zone of inhibition assay documented a efficacy of EESP-CST against S. aureus over 24 hours. But, adherence of the colony to the surface of EESP-CST was observed for P. aeruginosa.</p><p><strong>Conclusion: </strong>These results supported that the EESP-CST was successful in inhibiting the growth of S. aureus. on short-term in a liquid culture assay. Therefore, EESP-CST as a prevention of wound infections and can be an appropriate candidate for more clinical investigations.</p>","PeriodicalId":93962,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144755483","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
The Economics of Drug Development: A Comparison Between Orphan and Non-Orphan Drugs. 药物开发的经济学:孤儿药与非孤儿药的比较。
Current drug discovery technologies Pub Date : 2025-07-29 DOI: 10.2174/0115701638379700250713040806
Virendra S Gomase, Rupali Sharma, Satish Sardana, Suchita P Dhamane
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