Current drug discovery technologies最新文献

{"title":"A Narrative Review of the Nutritional Value and Biological Properties of Mushrooms.","authors":"Monalisa Gochhi, Priyanka Dash, Niranjan Chinara, Hrudesh Priyadarsan Sahoo, Vineet K Rai, Jitu Halder, Chandan Das, Goutam Ghosh, Goutam Rath, Biswakanth Kar","doi":"10.2174/0115701638369335250317040625","DOIUrl":"https://doi.org/10.2174/0115701638369335250317040625","url":null,"abstract":"<p><p>The temperate, subtropical climates of Odisha state, India, provide significant benefits that can help it become a potent producer of many species of edible mushrooms. The importance of mush-rooms in diets has gained more attention in recent years due to their nutritional benefits. We aimed to update and discuss the current research information on nutritional components, including carbo-hydrates (β-glucans, trehalose, glucose), dietary fiber, proteins (ostreatin), amino acids (valine, glu-tamine, glutamic acid, aspartic acid, and arginine, lipids, vitamins (thiamine, riboflavin, pyridoxine, pantothenic acid, niacin, folic acid, nicotinic acid, and cobalamin), minerals (K, P, Na, Ca, Mg), flavor and taste contents of Odisha cultivated edible mushrooms. Additionally, their biological appli-cation in terms of antimicrobial action, antitumor, anti-inflammatory, anti-diabetic, cardioprotective properties, and antioxidant properties with mechanism of action are highlighted. Besides, we men-tioned the limitations and prospects of mushrooms.</p>","PeriodicalId":93962,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143797500","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}

{"title":"An In-Silico Investigation of the Potential of Vitamin D as a 5-HT1A Receptor Agonist: A Molecular Modeling Approach for Evaluating its Pharmacological Prospects.","authors":"Houda Filali, Mohammed Mouhcine, Ibtihal Segmani, Youness Kadil, Imane Rahmoune, Mohamed Agoub","doi":"10.2174/0115701638359333250314062331","DOIUrl":"https://doi.org/10.2174/0115701638359333250314062331","url":null,"abstract":"<p><strong>Background: </strong>Vitamin D plays a crucial role in maintaining muscle and bone health and has been increasingly implicated in neurological disorders, including depression and anxiety, which are closely associated with dysregulation of the serotonin 1A receptor (5-HT1A receptor). This study employs molecular modeling techniques to investigate the potential agonistic activity of Vitamin D on the 5-HT1A receptor. Additionally, it seeks to elucidate the key structural motifs and molecular interactions that underline the binding affinity between Vitamin D and the receptor. The insights gained from this research may inform the design of Vitamin D-derived compounds with optimized pharmacological profiles, contributing to therapeutic advancements in related neurological condi-tions.</p><p><strong>Methods: </strong>We selected five structures of the 5-HT1A receptor (PDB IDs: 7E2Y, 7E2Z, 8W8B, 8JSP, and 8JT6) for Protein-Ligand Interaction Fingerprint (PLIF) analysis. We conducted molecular dock-ing to evaluate the binding efficiency of two forms of Vitamin D,ergocalciferol and cholecalciferol, to the 5-HT1A receptor. Following this, we performed Molecular Dynamics (MD) simulations to assess the stability of these interactions.</p><p><strong>Results: </strong>Docking results revealed binding energies below -6.64 kcal/mol for both forms of Vitamin D, with ergocalciferol achieving a maximum binding energy of -7.78 kcal/mol. ASP116 emerged as a pivotal residue in stabilizing these interactions. MD simulations indicated that the Vitamin D-5-HT1A complexes exhibited stability comparable to the serotonin-bound 5-HT1A receptor complex.</p><p><strong>Conclusion: </strong>Our study suggests that Vitamin D may function as an agonist for the 5-HT1A receptor, with ASP116 playing a critical role in binding. Yet, further in vitro and in vivo studies are necessary to validate these findings and explore the therapeutic potential of Vitamin D-derived compounds.</p>","PeriodicalId":93962,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143782247","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}

{"title":"Role of Biomarkers for Diagnosis and Prediction in Type 1 Diabetes: An Overview.","authors":"Omkar Janjire, Addepalli Veeranjaneyulu, Shivani Desai, Govind Kale","doi":"10.2174/0115701638319534250314075737","DOIUrl":"https://doi.org/10.2174/0115701638319534250314075737","url":null,"abstract":"<p><p>An autoimmune disorder known as type 1 diabetes (T1D) causes the pancreas to stop pro-ducing insulin. An autoimmune response against beta cells causes this metabolic condition, which is more typically observed in children and young adults and causes a shortage of insulin and hypergly-cemia.T1D development is influenced by a variety of variables, including physiological events, ge-netic, epigenetic, immunologic, and lifestyle variables. Biomarkers like glucose, glycated substances, C-peptides, autoantibodies, and genetic biomarkers can be used to diagnose and predict T1D. Due to the disease's growing incidence worldwide, it is essential to have biomarkers that can diagnose and predict the onset or progression of T1D. In previous years, significant work has been undertaken to find new markers and comprehend the etiology of T1D. In order to analyze proteins, nucleic acids, and metabolites, high-throughput and sensitive omics technology has been developed. This has made it possible to profile protein expression and gene modifications in T1D patients on a wide scale. These methods might aid in lowering the morbidity and mortality linked to T1D and its complications.</p>","PeriodicalId":93962,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143775278","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}

{"title":"Update on the Role of Cellular Redox System in Health and Illness.","authors":"Manvi Karayat, Kalpana Rahate, Shristi Singh","doi":"10.2174/0115701638349511250121114323","DOIUrl":"https://doi.org/10.2174/0115701638349511250121114323","url":null,"abstract":"<p><p>An imbalance between Reactive Oxygen Species (ROS) and antioxidants in the circulatory system leads to oxidative stress, which has been linked to several pathological conditions, including cancer, aging, and neurological and cardiovascular diseases. Antioxidants play a crucial role in re-ducing oxidative damage by neutralizing harmful free radicals and preventing cellular injury. The processes generating cellular oxidative stress and the curative effects of antioxidants, the origins and effects of reactive oxygen species (ROS), the role that oxidative stress plays in the pathogenesis of disease, and the several kinds of antioxidants-including enzymatic and non-enzymatic antioxidants are thoroughly explored in this review. We also emphasized the medicinal uses of antioxidants, both natural and synthetic, in the prevention and treatment of disorders associated with oxidative stress. Furthermore, we discussed the challenges and potential paths ahead for antioxidant research, such as developing new antioxidant molecules with higher efficacy and improving antioxidant delivery sys-tems. This study provides information regarding the complicated dynamics of oxidative stress and the potential benefits of antioxidants for preserving cellular homeostasis and advancing human health.</p>","PeriodicalId":93962,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143545106","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}

{"title":"Targeted Management: Unlocking the Crucial Role of PROTACs in Cancer Treatment.","authors":"Priyanka Gupta, Sumit Dutta, Prashant Kumar, Monika Kaushik, Sumel Ashique, Mithun Bhowmick","doi":"10.2174/0115701638324854250218053353","DOIUrl":"https://doi.org/10.2174/0115701638324854250218053353","url":null,"abstract":"<p><p>Targeted Protein Degradation (TPD) offers a solution, eliminating disease-related proteins and overcoming challenges associated with unintended toxicity and lack of precision. PROTACs (Proteolysis Targeting Chimeras) represent an innovative strategy for the specific degradation of tar-get proteins through the UPS (Ubiquitin-Proteasome System). In comparison to conventional protein inhibitor medications, PROTAC offers advantages in terms of efficacy, selectivity, and the ability to overcome drug resistance in cancer treatment, contributing novel perspectives to the field of anti-cancer drug discovery. Proteins play vital roles in an organism's health, and misfolded contributes to diseases like neurodegenerative disorders and cancer. Cells maintain protein balance through quality control systems, primarily the UPS and autophagy. Protac, a Targeted Protein Degradation (TPD) strategy, utilizes UPS, employing small molecules to induce targeted protein degradation. PROTAC exhibits promise in preclinical studies and clinical trials for diverse cancers. Notable examples in-clude breast cancer, where PROTAC targets CDK4/6 (cyclin-dependent kinase) and Estrogen Recep-tors (ER), prostate cancer, addressing Androgen Receptor (AR) degradation, hematologic malignan-cies, focusing on AURORA-A and CDKs, and NSCLC (Non-Small-Cell Lung Cancer), targeting Estimated Glomerular Filtration Rate (EGFR), and KRAS. Despite their potential, PROTAC faces challenges, including compensatory protein expression in response to targeted therapies. This com-prehensive review explores recent advancements in PROTAC and related technologies, emphasizing the mechanisms and structures of PROTAC and their applications in proteins targeting cancer.</p>","PeriodicalId":93962,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143517765","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}

{"title":"An Overview of Unlocking the Power of Non-Coding RNAs in Revolutionizing Cancer Therapy.","authors":"Sagarika Kabra, Neetu Sharma, Ankita Kumari, Saba Khan, Rashmi Pathak, Himanshu Sharma, Abdullah Al Noman","doi":"10.2174/0115701638333005250128075758","DOIUrl":"https://doi.org/10.2174/0115701638333005250128075758","url":null,"abstract":"<p><p>Non-coding RNA (ncRNA) has been recognized to be an essential regulator of cellular processes and gene expression in cancer. The present study covers the various roles of ncRNAs, including circular RNAs (circRNAs), long non-coding RNAs (lncRNAs), and microRNAs (miR-NAs), that affect cancer properties. Oncogenesis, metastasis, and treatment resistance are all pro-cesses involving ncRNAs, which have tremendous potential as new therapeutic agents and tar-gets. The review covers the broad spectrum of ncRNAs in cancer biology, including their types and activities, epigenetic control, function in metastasis and angiogenesis, detection and profiling ap-proaches, potential as biomarkers, and therapeutic possibilities. Recent advancements in next-gener-ation sequencing and other molecular methods have helped us better understand how ncRNAs work and their potential therapeutic uses. However, there are still challenges to standardizing detection technologies and producing effective RNA-based therapeutics. Therefore, further studies are needed to solve important issues in this sector. Standardization efforts are also essential to developing iden-tical methods for ncRNA collection, quantification, and analysis throughout multiple laboratories and ensuring the findings are reliable and comparable. Large-scale, multi-recentre studies are required to verify the diagnostic usefulness of ncRNA biomarkers across a wide range of patient groups. Also, more detailed mechanistic knowledge is necessary for understanding the particular molecular mech-anisms by which ncRNAs affect cancer growth, metastasis, and treatment response. This review high-lights the complex relationships between ncRNAs and cancer biology and also focuses on their po-tential effect on cancer diagnosis and treatment. It also highlights the necessity for more studies to fully understand the therapeutic potential of ncRNAs in cancer. As studies advance, using ncRNA results in clinical practice might change cancer treatment by novel opportunities for specific therapy and personalized medicine.</p>","PeriodicalId":93962,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143517763","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}

{"title":"Evaluation of Cytotoxicity and Antimicrobial Activity of Thanatin Recombinant Peptide against Some Oral Bacteria: A Novel Approach against Bacterial Pathogens in Dentistry.","authors":"Atefeh Nemati Karimooy, Mohammad Jarchi, Fatemeh Forouzanfar, Abass Tanhaiean, Arash Esmaeili, Hamideh Sadat Mohammadipour","doi":"10.2174/0115701638332473250213064453","DOIUrl":"https://doi.org/10.2174/0115701638332473250213064453","url":null,"abstract":"<p><strong>Objective: </strong>This study investigated the antimicrobial properties of the thanatin peptide against oral bacteria associated with dental caries and endodontic failures. Additionally, the cytotoxic effects of this peptide on human gingival fibroblast cells (HGFCs) were assessed.</p><p><strong>Methods and materials: </strong>The antimicrobial property of thanatin was tested on Streptococcus mutans, Streptococcus salivarius, Streptococcus oralis, and Enterococcus faecalis, using the microbroth dilu-tion method. The 0.2% Chlorhexidine mouthwash was used as the control group. Additionally, the cytotoxicity was measured using the MTT assay. The results were presented descriptively and ana-lyzed via one-way ANOVA and Tukey's HSD tests.</p><p><strong>Results: </strong>Thanatin demonstrated the strongest bacteriostatic effect (MIC) against S. salivarius, meas-uring 4.68 μg/ml, which is approximately double that of S. mutans and S. oralis, with concentrations of 9.37 and 8.75 μg/ml, respectively. The highest bactericidal activity (MBC) of thanatin was noted in S. salivarius and S. oralis at 9.37 μg/ml. The antibacterial effects of thanatin against evaluated bacteria were several times lower than those of Chlorhexidine. The cytotoxicity assessment indicated that over 70% and 60% of the HGFCs remained viable after 24 and 48 hours, respectively.</p><p><strong>Conclusion: </strong>Although thanatin exhibited significantly higher biocompatibility, its antimicrobial ef-fectiveness against the tested oral bacteria was inferior to that of 0.2% Chlorhexidine.</p>","PeriodicalId":93962,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143495101","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}

{"title":"Virtual Screening and Identification of Novel Oxindole Derivatives as Potential Antimicrobial Agents.","authors":"Sowmiya P, Revathi G, Girija K","doi":"10.2174/0115701638362089250210075934","DOIUrl":"https://doi.org/10.2174/0115701638362089250210075934","url":null,"abstract":"<p><strong>Introduction: </strong>Antimicrobial resistance (AMR), according to the World Health Organi-zation, is one of the most serious risks to global public health and development. It is a serious health hazard, with over 10 million deaths expected by 2050. New treatment materials and ways to remove AMR pathogens are in great demand to combat illnesses caused by such bacteria. Hence, the current work focused on virtual screening of the therapeutic potential of new oxindole derivatives against the targeted enzymes for antibacterial activity.</p><p><strong>Materials and methods: </strong>A series of 120 novel 3-substituted-2-oxindole derivatives were designed based on the literature and SAR study, which were screened for their binding affinity against tar-geted enzymes, such as methionyl-tRNA synthetase (1PFV) and tyrosyl-tRNA synthetase (1JIL) using AutoDock Vina software. Compounds with significant binding energy were identified and filtered for appropriate ADME properties using the SwissADME program. Furthermore, the top fifteen hit compounds were evaluated for toxicity risk and drug score with the pkCSM online tool and OSIRIS Property Explorer, respectively.</p><p><strong>Results and discussion: </strong>The docking analysis of the top two hits revealed that compounds 4 and 6 had a binding affinity of -10.1 Kcal/mol and -10.0 Kcal/mol against the targeted enzymes, respec-tively, compared to the standard (Tetracycline -9.3 Kcal/mol and Mupirocin -7.5 Kcal/mol).</p><p><strong>Conclusion: </strong>Hence, the best-hit compound 4 underwent MD simulation, validating its stability and successfully satisfying all in silico parameters, necessitating further synthesis and screening for in-vitro antimicrobial activity. These novel oxindole scaffolds could thus serve as promising leads for effective antibacterial drugs.</p>","PeriodicalId":93962,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143461267","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}

{"title":"In-Silico Approaches for Drug Designing Technology: Bridging Discovery and Development.","authors":"Aminul Islam, Diptimayee Jena, Nur Shaid Mondal, Aniya Teli, Sandip Mondal, Manish Kumar Gautam","doi":"10.2174/0115701638326869250207060616","DOIUrl":"https://doi.org/10.2174/0115701638326869250207060616","url":null,"abstract":"<p><p>Traditional drug discovery processes have disadvantages such as efficiency, cost, and high attrition rates. In silico methods, involving computational simulations and modelling, offer powerful solutions to bridge the gap between discovery and development. This review explores various in silico approaches, including ligand-based and structure-based drug design, virtual screening, molecular docking, and ADMET prediction. We explore their utilization throughout different phases of phar-maceutical development, spanning from target identification and lead refinement to forecasting tox-icity and pharmacokinetics. In-silico methods enable rapid lead identification and optimization, re-ducing reliance on expensive wet lab experiments. They contribute to improved drug quality by pre-dicting ADMET properties and off-target effects, ultimately accelerating development timelines and lowering costs. In silico approaches are revolutionizing drug design by providing predictive and cost-effective solutions. Incorporating them into the design process streamlines lead refinement and en-hances the likelihood of success for potential drugs, ultimately expediting the translation of innova-tive treatments to patients.</p>","PeriodicalId":93962,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143451243","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}

{"title":"Revolutionizing Drug Development: Harnessing Artificial Intelligence in Pharmaceutical Sciences.","authors":"Samaresh Pal Roy, Sunil Kumar Kadiri, Suchismita Bhowmik, Vimal Patel, Lokesh Deb, Prashant Tiwari","doi":"10.2174/0115701638343448250207053913","DOIUrl":"https://doi.org/10.2174/0115701638343448250207053913","url":null,"abstract":"<p><p>The integration of artificial intelligence (AI) in pharmaceutical sciences marks a signifi-cant milestone in the field of drug discovery and development, presenting unique prospects for crea-tivity and productivity. This review article delves into the significant impact of AI on contemporary pharmaceutical practices, highlighting its incorporation in different phases of drug discovery and personalized medicine. Our goal is to offer a thorough analysis of the current landscape of AI appli-cations in the field, outline the extent of recent progress, and explore the obstacles and potential future paths for AI technologies. Significant advancements have been made in the drug development pro-cess, resulting in cost reduction and improved drug efficacy and safety profiling. In order to fully harness its potential, the various obstacles involved in the integration of AI must be overcome. These include ensuring the quality of data, navigating through regulatory requirements, and addressing eth-ical considerations. This review provides a comprehensive analysis of AI techniques, discussing the strengths and limitations of current technologies and identifying emerging trends that could poten-tially shape future pharmaceutical landscapes. Exploring the far-reaching effects of AI on healthcare, economics, and ethics, this analysis offers valuable insights into the potential of AI-driven strategies to revolutionize healthcare, making it more individualized and efficient. In the end, this review seeks to provide guidance to stakeholders in understanding the intricacies of AI in pharmaceutical sciences and utilizing its potential to improve patient outcomes.</p>","PeriodicalId":93962,"journal":{"name":"Current drug discovery technologies","volume":" ","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143434774","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}