Current Research in Biotechnology最新文献

{"title":"Peptides and peptidomimetics in the development of hydrogels towards the treatment of diabetic wounds","authors":"Ana Gomes,&nbsp;Paula Gomes","doi":"10.1016/j.crbiot.2025.100292","DOIUrl":"10.1016/j.crbiot.2025.100292","url":null,"abstract":"<div><div>Diabetic foot ulcers are a major complication of diabetes and a particularly complex type of chronic wounds, as most diabetes-related physiological dysregulations impair healing and increase the risk of infection. Despite many health literacy initiatives have been deployed to promote both the prevention and the proper management of diabetic foot ulcers, these remain a serious healthcare problem whose incidence is rising. This demands not only for a continuous updating of guidelines for adequate interventions in healthcare facilities, but also for new topical treatments able to improve the health and well-being of the patients. In this later case, current options include topical oxygen therapy, negative pressure wound therapy, wound dressings of different types, and topical gels. Due to the tremendous potential of hydrogel-based dressings for diabetic wound treatment, several hydrogels from either natural or synthetic origin have been explored. The hydrogel polymeric matrices can be loaded with many diverse molecules (cargoes) eventually combining distinct therapeutic actions. In this context, peptides are gaining relevance, which is not limited to those used as bioactive cargoes, since self-assembling peptides able to form hydrogels are also under the spotlight. This review focuses on the studies reported over the last decade where peptide-loaded or peptide-derived hydrogels have been tested <em>in vivo</em> for topical treatment of diabetic wounds and further explores the potential of peptidomimetics to expand the portfolio of hydrogel-based treatments for diabetic foot ulcers.</div></div>","PeriodicalId":52676,"journal":{"name":"Current Research in Biotechnology","volume":"9 ","pages":"Article 100292"},"PeriodicalIF":3.6,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143879009","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":"Preliminary evaluation of the anti-acne potential of herbal and fruit extracts and formulated creams","authors":"Benish Gulzar ,&nbsp;Muniba Ahmad ,&nbsp;Dilara Abbas Bukhari ,&nbsp;Zuhra Bibi ,&nbsp;Arif Ullah ,&nbsp;Abdul Rehman","doi":"10.1016/j.crbiot.2025.100339","DOIUrl":"10.1016/j.crbiot.2025.100339","url":null,"abstract":"<div><div>The objective of the research was to evaluate the antibacterial efficacy of the selected herbal and fruit extracts against acne-causing bacteria and then to prepare effective anti-acne creams. People aged 15 to 19 were selected for taking acne samples, and bacterial isolates were characterized through biochemical methods (Gram staining, catalase, glucose fermentation) initially, and finally through a molecular approach. Six strains were identified through molecular characterisation, which included DNA extraction, polymerase chain reaction, and 16S rRNA gene sequencing: S1 (<em>Staphylococcus</em> sp.), S2 (<em>Cutibacterium acnes</em>), S3 (<em>Staphylococcus aureus</em>), S4 (<em>Staphylococcus epidermis</em>), S5 (<em>Bacillus paramycoides</em>), and S6 (<em>Mammalicoccus lentus</em>). Ethanolic extracts of herbs, i.e., neem, tulsi, liquorice, turmeric, amaltas, and fruits, i.e., sweet lime, banana, pomegranate, and lemon, were made and added to cream formulations. The antibacterial activity of the herbal and fruit extracts was analysed by well and disc diffusion methods, whereas phytochemical components of the extracts were determined throughanalysed by using GC–MS analysis. The extracts of neem and pomegranate are the most effective ones among all the tested strains, which were confirmed by significant inhibition zones and ANOVA analysis. Notably, GC–MS analysis detected the presence of key bioactive compounds such as mahanimbine in neem and hydroxymethylfurfural in pomegranate, which have anti-inflammatory and antibacterial effects relevant to treating acne. On the other hand, liquorice demonstrated the least efficacy. The neem, tulsi, liquorice, and other herbal extracts-based cream (Formulation A) had considerably high zones of inhibition, especially 37.67 mm in the case of <em>Staphylococcus</em> sp., and 37.66 mm in the case of <em>C. acnes.</em> Comparatively, moderate antibacterial activity was displayed by fruit-based cream (Formulation B) with the largest inhibition range of 25 and 22  mm towards <em>C. acnes</em> and <em>B. paramycoides</em>, respectively. The results also confirm the possible use of certain plant-based compositions in acne treatment, and they should be used in future <em>in vivo</em> studies to prove clinical effectiveness.</div></div>","PeriodicalId":52676,"journal":{"name":"Current Research in Biotechnology","volume":"10 ","pages":"Article 100339"},"PeriodicalIF":4.0,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145319566","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":"Insights into the world of edible vaccines: From lab to reality","authors":"Baveesh Pudhuvai ,&nbsp;Bhupendra Koul ,&nbsp;Awdhesh Kumar Mishra","doi":"10.1016/j.crbiot.2025.100290","DOIUrl":"10.1016/j.crbiot.2025.100290","url":null,"abstract":"<div><div>Edible vaccines have emerged as a groundbreaking advancement in the field of immunization, offering a unique and promising approach to combat infectious diseases. These are subunit vaccines wherein plants are genetically engineered to synthesise specific proteins to induce disease resistance. This idea of plant-based edible vaccines (PBVs) shall prove to be a boon for society, in the health sector as they are affordable, simple to administer and store. The use of edible vaccines has demonstrated a boost in mucosal and systemic immunity. Plants like potato, banana, lettuce, corn, soybean, rice, and legumes have been utilized for this application and have resulted in reduced diseases such as cholera, hepatitis, measles, diarrhoea. This review provides an overview of edible vaccines, exploring their development, advantages, challenges, and future potential. This further explores the processes involved in transforming plants using both direct and indirect gene delivery methods and provides an in-depth analysis of the background and clinical evidence for each plant candidate. Additionally, it also highlights the scientific advancements, ethical considerations, regulatory aspects, and potential impact of edible vaccines on global health and shall benefit researchers globally, in the field of developmental therapeutics, alternative medicine, and green chemistry.</div></div>","PeriodicalId":52676,"journal":{"name":"Current Research in Biotechnology","volume":"9 ","pages":"Article 100290"},"PeriodicalIF":3.6,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143859722","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":"Sustainable remediation of persistent organic Pollutants: A review on Recent innovative technologies","authors":"Fatihu Kabir Sadiq ,&nbsp;Abdulalim Ahovi Sadiq ,&nbsp;Tiroyaone Albertinah Matsika ,&nbsp;Barikisu Ahuoyiza Momoh","doi":"10.1016/j.crbiot.2025.100293","DOIUrl":"10.1016/j.crbiot.2025.100293","url":null,"abstract":"<div><div>Persistent organic pollutants (POPs) are harmful chemicals that remain in the environment for a long time due to their resistance to degradation. They represent a significant challenge to sustainable development due to their enduring presence and potential for bioaccumulation in the environment. This review examines emerging technologies for POP remediation, assessing conventional methods while emphasizing the potential of innovative approaches. Advanced technologies, including nanotechnology and advanced oxidation processes (AOPs), show potential for effective, cost-efficient and environmentally friendly POP degradation. Among AOPs, methods such as UV/H₂O₂, Fenton’s reaction, photo-Fenton, UV/Ozone, and photocatalysis with semiconductors like TiO₂ are particularly effective in breaking down POPs into less harmful substances. Nanotechnology-based methods provide high efficiency, selectivity, and reduced environmental impact, while photocatalysis offers a sustainable and eco-friendly approach to POP degradation. To enhance remediation effectiveness, integrating innovative materials, optimized processes, and artificial intelligence (AI) is crucial. Advancements in eco-friendly nanomaterials, hybrid AOPs, and AI-driven process optimization can significantly improve degradation efficiency, selectivity, and sustainability. Future research should focus on scaling up these technologies, improving cost-effectiveness, and incorporating AI-powered smart monitoring systems for long-term environmental management. A holistic and sustainable remediation strategy must also align with circular economy principles, promote eco-friendly innovations, and address the influence of climate change on POP behavior. By fostering interdisciplinary research, policy support, and international collaboration, the development of accessible and sustainable remediation solutions can be accelerated, contributing to a cleaner environment and a healthier future for all.</div></div>","PeriodicalId":52676,"journal":{"name":"Current Research in Biotechnology","volume":"9 ","pages":"Article 100293"},"PeriodicalIF":3.6,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143863703","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":"Genetic diversity and population structure of Cnaphalocrocis medinalis across India and South Asia: Insights from COI and ITS2 gene analyses","authors":"Soumya Shephalika Dash ,&nbsp;Prasanthi Golive ,&nbsp;C. Parameswaran ,&nbsp;Prakash Chandra Rath ,&nbsp;Hirak Chatterjee ,&nbsp;Arup Kumar Mukherjee ,&nbsp;Partha Sarathi Tripathy ,&nbsp;Anjan Kumar Nayak ,&nbsp;Sucharita Mohapatra ,&nbsp;Bijay Kumar Behera ,&nbsp;Shyamaranjan Das Mohapatra","doi":"10.1016/j.crbiot.2025.100281","DOIUrl":"10.1016/j.crbiot.2025.100281","url":null,"abstract":"<div><div>Rice leaffolder, <em>Cnaphalocrocis medinalis</em>, a major pest of rice, poses a significant threat to crop yield across Asia. This is why the spread of this pest across Southeast Asia needs to be studied to understand its population dynamics, genetic diversity, and potential impact on regional rice cultivation. In this study, the genetic diversity and population structure of <em>C. medinalis</em> were examined using mitochondrial <em>COI</em> and nuclear <em>ITS2</em> gene sequences collected from 15 Indian states and several South Asian countries. A total of 100 <em>COI</em> and 63 <em>ITS2</em> sequences were analyzed, including new and publicly available data on NCBI, to assess nucleotide diversity, haplotype variation, and phylogenetic relationships. The DNA extraction, PCR amplification, sequencing, and bioinformatics analyses were done. Results revealed higher haplotype and nucleotide diversity in Indian populations compared to other Asian regions, indicating genetic variations and potential historical bottlenecks followed by population expansions. Median-joining haplotype networks showed widespread haplotypes, suggesting gene flow, while region-specific haplotypes indicated localized adaptation. AMOVA highlighted substantial genetic differentiation among populations for <em>COI</em> (62.51% variation), whereas <em>ITS2</em> showed moderate differentiation (43.86%). Phylogenetic analyses identified polyphyletic and monophyletic clades, emphasizing complex population dynamics. Neutrality tests and mismatch distributions suggested demographic expansions in Indian populations. These findings underscore the evolutionary history, possible migration pattern and genetic structure of <em>C. medinalis</em>, providing insights into pest management strategies. Future research should explore environmental and anthropogenic factors driving genetic differentiation to enhance integrated pest management practices, ensuring sustainable rice production across diverse agro-climatic regions.</div></div>","PeriodicalId":52676,"journal":{"name":"Current Research in Biotechnology","volume":"9 ","pages":"Article 100281"},"PeriodicalIF":3.6,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143806872","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":"A systematic review on Indian Acacia species","authors":"Bharat Singh ,&nbsp;Jagdish Prasad ,&nbsp;Ram Avtar Sharma","doi":"10.1016/j.crbiot.2025.100274","DOIUrl":"10.1016/j.crbiot.2025.100274","url":null,"abstract":"<div><div>Acacia plants are evergreen, perennial, short, flat-crowned to long and straight-bole trees. A total of 34 species of Acacia genus are distributed in different states of India. Acacia plants are used in the treatment of chronic dysentery, diarrhoea, throat troubles, conjunctivitis and stomatitis. The critical data of ethnopharmacological properties, phytochemical and pharmacological attributes of 27 species were obtained through extensive review of relevant reference books, M. Sc./M. Tech dissertations, PhD theses, Web of Science, PubMed, Google Scholar, ScienceDirect, Wiley, Taylors &amp; Francis, Bentham, Thieme, Springer, and eFloras. The flavone glycosides, flavonoids, lignans, anthraquinones, monoterpenes, and alkaloids have been identified from 20 species of Indian Acacia species. Indian Acacia species possess antimicrobial, antidiabetic, antiarthritic, antistress, anti-inflammatory, antioxidant, anticancer, and wound healing properties. However, various reports are available in literature on phytochemistry and biological properties of 27 Indian Acacia species but, still 7 species have not been evaluated for their pharmacological studies. The review discusses updated knowledge of ethnopharmacological applications, phytochemical and pharmacological attributes, and pharmacokinetic profiles of Indian Acacia species.</div></div>","PeriodicalId":52676,"journal":{"name":"Current Research in Biotechnology","volume":"9 ","pages":"Article 100274"},"PeriodicalIF":3.6,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143136675","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}

{"title":"Curcumin dietary supplementation enhances serum carbohydrate-degrading enzyme activities in buffaloes","authors":"Maima Matin ,&nbsp;Natalia Ksepka ,&nbsp;Kamil Wysocki ,&nbsp;Michel-Edwar Mickael ,&nbsp;Alpana Pande ,&nbsp;Jarosław Olav Horbańczuk ,&nbsp;Artur Jóźwik ,&nbsp;Olga Adamska ,&nbsp;Artur Stolarczyk ,&nbsp;Laszlo Barna Iantovics ,&nbsp;Yordanka Ilieva ,&nbsp;Pencho Penchev ,&nbsp;Atanas G. Atanasov","doi":"10.1016/j.crbiot.2025.100276","DOIUrl":"10.1016/j.crbiot.2025.100276","url":null,"abstract":"<div><div>Curcumin, the major bioactive compound found in turmeric (<em>Curcuma longa</em>) is a subject of intensive research, due to its multiple bioactivities. Previous studies have investigated metabolic effects of curcumin in humans or established animal research models such as mice, but studies with farm animals have been scarce. In this work, we aimed to study the effects of curcumin supplementation in Bulgarian Murrah buffaloes (<em>Bubalus bubalis</em>), on the serum activities of seven important carbohydrate-metabolizing enzymes, β-glucuronidase, α-galactosidase, α-glucosidase, β-glucosidase, β-galactosidase, N-acetyl-hexosaminidase, and mannosidase. Curcumin was supplemented at a dose of 50 g per animal, per day, and serum activities of the studied enzymes were determined at the start (day 0), middle (day 14), and end (day 28) of the supplementation period. A tendency for increased activity of all studied enzymes was observed upon supplementation with curcumin, with the activity levels of five of the enzymes displaying statistically significant upregulation at day 28 (β-glucuronidase, α-galactosidase, β-galactosidase, N-acetyl-hexosaminidase, and mannosidase). These upregulated activities are in general indicative of increased carbohydrates turnover and detoxification processes, and might provide clues for a better understanding of the mechanisms of action of curcumin <em>in vivo</em>, as well as for novel approaches to rationally impact animal or human health and wellbeing through targeted supplementation.</div></div>","PeriodicalId":52676,"journal":{"name":"Current Research in Biotechnology","volume":"9 ","pages":"Article 100276"},"PeriodicalIF":3.6,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143136749","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}

{"title":"Implementation of Dunaliella tertiolecta and Desmodesmus communis in a photobioreactor prototype for treatment of wastewater in a recirculating aquaculture system","authors":"Kathleen P. Nolan,&nbsp;Jordan Roszell,&nbsp;Robert H. Hanner,&nbsp;Andreas Heyland","doi":"10.1016/j.crbiot.2025.100314","DOIUrl":"10.1016/j.crbiot.2025.100314","url":null,"abstract":"<div><div>Inline photobioreactors (PBRs) are a promising tool for nutrient removal from aquacultural wastewater and production of valuable algal biomass, yet few PBR systems have been rigorously tested. Optimization of algal growth screening across species and strains of interest under specific water conditions is crucial but time-consuming, limiting PBR implementation. Here, we developed a high-throughput screening system to efficiently test algal growth under various nutrient treatments, with the goal of informing implementation in a PBR designed for wastewater treatment in recirculating aquaculture systems (RAS). We assessed growth of the marine alga <em>Dunaliella tertiolecta</em> and the freshwater alga <em>Desmodesmus communis</em> under a matrix of inorganic nitrogen (N) treatments in 96-well plates. We then tested ammonium transfer within a prototype PBR for RAS wastewater treatment and evaluated the batch growth response of <em>D. tertiolecta</em> to ammonium treatments in the PBR. Both species grew on the provided inorganic N sources, showing significant differences in response to N treatments due to species-driven variations in nitrogen uptake and storage mechanisms. <em>D. tertiolecta</em> thrived when grown individually on either nitrate or ammonium, while <em>D. communis</em> favored a combination of N sources. <em>D. tertiolecta</em> showed a 5.4% higher growth rate in nitrate than ammonium. Both species grew in nutrient-free controls, suggesting potential use of internal nutrient reserves. <em>D. tertiolecta</em> grew within the PBR, serving as proof-of-concept for algal cultivation in the prototype. This study supports PBR technology for enhancing food production systems and protecting food security through RAS wastewater treatment.</div></div>","PeriodicalId":52676,"journal":{"name":"Current Research in Biotechnology","volume":"10 ","pages":"Article 100314"},"PeriodicalIF":3.6,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144672530","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":"Innovative chemical biology tools for monitoring activity in complex microbiomes","authors":"Yumechris Amekan ,&nbsp;Kelly R. Redeker ,&nbsp;James P.J. Chong","doi":"10.1016/j.crbiot.2025.100334","DOIUrl":"10.1016/j.crbiot.2025.100334","url":null,"abstract":"<div><div>The functional analysis of complex microbiomes is hindered by their cellular heterogeneity and dynamic interactions. Conventional approaches often lack the resolution to resolve the metabolic activity of individual cells in situ. Recent advances in chemical biology have introduced powerful tools—such as bioorthogonal chemistry, stable isotope probing (SIP), and single-cell phenotyping—that enable non-destructive, high-resolution profiling of microbial activity across diverse ecosystems. These techniques bridge the gap between genotype and phenotype by targeting translational and metabolic functions in live cells, including uncultured or low-abundance taxa. This review outlines the principles, applications, and current limitations of these tools, including challenges in probe biocompatibility, throughput, and spectral or isotopic data analysis. We highlight recent innovations, including BONCAT-FACS integration, automated SIP platforms, and microfluidic Raman-activated cell sorting (RACS), which enhance analytical scalability. Emphasis is placed on the integration of chemical biology tools with multi-omics workflows to generate causal insights into microbial function. By addressing key technical and analytical barriers, these tools promise to expand our capacity to monitor and manipulate microbiomes for applications in ecology, biotechnology, and health. Their continued development will be critical for unlocking the functional potential of microbial communities across environmental and engineered systems.</div></div>","PeriodicalId":52676,"journal":{"name":"Current Research in Biotechnology","volume":"10 ","pages":"Article 100334"},"PeriodicalIF":4.0,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145047871","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":"Neurotensin(8-13) analogs targeting NTS1 and NTS2 receptors: A comparative in vitro and molecular modeling study","authors":"Kiril Kirilov ,&nbsp;Maria Ponticelli ,&nbsp;Toni Kühl ,&nbsp;Harald Hübner ,&nbsp;Maya G. Georgieva ,&nbsp;Matthias Vogel ,&nbsp;Aneliya A. Balacheva ,&nbsp;Bodo Haas ,&nbsp;Tamara I. Pajpanova ,&nbsp;Maima Matin ,&nbsp;Luigi Milella ,&nbsp;Peter Gmeiner ,&nbsp;Diana Imhof ,&nbsp;Nikolay T. Tzvetkov","doi":"10.1016/j.crbiot.2025.100298","DOIUrl":"10.1016/j.crbiot.2025.100298","url":null,"abstract":"<div><div>The simultaneous activation of both neurotensin type 1 and 2 receptors (NTS1R and NTS2R) through the neuronal peptide neurotensin (NT), activating the dopamine (DA) release and DA signaling within the dopaminergic system in the brain, suggest that NTS1R/NTS2R dual-specific NT analogs may represent an attractive tool in the treatment of Parkinson’s disease (PD) and/or other related conditions. Herein, we report <em>in silico</em> exploration of NTS1R and NTS2R driven by <em>in vitro</em> pharmacological evaluation of the linear hexapeptide NT analogs <strong>3</strong> (sequence Lys⁸-Cav⁹-Pro¹⁰-Tyr¹¹-Ile¹²-Leu¹³) and <strong>6</strong> (Arg⁸-Cav⁹-Pro¹⁰-Tyr¹¹-Ile¹²-Leu¹³), both active towards the human NTS1R and NTS2R. Compared to the parent peptide NT(8–13) (<strong>2</strong>), compounds <strong>3</strong> and <strong>6</strong> showed improved <em>in vitro</em> human plasma stability and BBB permeability. Moreover, <em>in silico</em> ADMET evaluation indicated that both NT-analogs have strong pharmacological properties combined with good safety profiles, highlighting their potential for further structural improvements. Furthermore, we applied an AI-based approach to generate the homology models of hNTS1R and hNTS2R, followed by MD simulations of their ligand-free state and molecular docking in order to estimate the most probable protein–ligand complexes of peptides <strong>3</strong> and <strong>6</strong>. Binding interaction/affinity analysis of the best-ranked docking modes, obtained with selected time-frames from the respective MD trajectories, suggest that the receptor activation occurs via a ligand-receptor binding into the initial “entry” conformation of hNTS1R and hNTS2R. This assumption is supported by additional HYDE analysis confirming the binding affinities of peptides <strong>3</strong> and <strong>6</strong> towards hNTS1R and hNTS2R obtained by radioligand binding experiments. The reported study may serve as a ready-to-use <em>in silico</em> approach for further development of therapeutic options against PD and potentially other neurological disorders.</div></div>","PeriodicalId":52676,"journal":{"name":"Current Research in Biotechnology","volume":"9 ","pages":"Article 100298"},"PeriodicalIF":3.6,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144089151","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}