Pharmacological Research - Natural Products最新文献

{"title":"Significance of Indian hematinic herbal beverages, and future perspectives","authors":"Devi Datt Joshi ,&nbsp;Lokesh Deb ,&nbsp;Bharat G. Somkuwar ,&nbsp;Virendra Singh Rana","doi":"10.1016/j.prenap.2025.100178","DOIUrl":"10.1016/j.prenap.2025.100178","url":null,"abstract":"<div><h3>Background</h3><div>Traditional herbal beverages have been used as medicine around the world to reduce oxidative stress. The chemical composition of these herbs depends on geographic and climatic factors, giving them unique healing properties. The Indian sub-continent has a rich variety of medicinal plants and has been using herbal beverages to treat various ailments for centuries. With advancements in bio-molecular knowledge, these beverages are gaining popularity. The current study aimed to collect scattered information on the therapeutic ingredients of Indian traditional hematinic herbal beverages, understand their mechanism of action, and identify knowledge gaps for future research.</div></div><div><h3>Methods</h3><div>We analyzed literature from 1980 to March 2024 on Indian traditional herbal beverages known for their hematinic properties. We used various relevant keywords to search computerized databases and manually examined cross-references to select research papers published in English.</div></div><div><h3>Results</h3><div>The research on 15 Indian traditional herbal hematinic beverages shows that most of them are non-fermented tisanes. They are made by collecting, bleaching, and wilting tender leaves, buds, fruits, flowers, stems, and roots. Although these beverages have been used successfully for centuries, there is still a knowledge gap regarding their mechanism of action.</div></div><div><h3>Conclusions</h3><div>Rapid industrialization and urbanization have led to a high-pressure society that requires extended alertness, resulting in metabolic disorders such as iron deficiency anemia. Traditional herbal practices have been effective in treating these disorders with minimal side effects compared to allopathic medicines. Research data on these beverages with GI tags may provide evidence for the development of evidence-based food, leading to the creation of modern green medicine and globally available anti-anemic beverages.</div></div>","PeriodicalId":101014,"journal":{"name":"Pharmacological Research - Natural Products","volume":"7 ","pages":"Article 100178"},"PeriodicalIF":0.0,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143629390","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":"Exploring natural plant compounds against the SARS-CoV-2 spike protein: An analytical and computational approach for drug discovery","authors":"Neelanjan Chowdhury,&nbsp;Suraj Sakharam Kutre,&nbsp;Pethakamsetti Mounika Sai,&nbsp;Satheesh Kumar Nanjappan","doi":"10.1016/j.prenap.2025.100191","DOIUrl":"10.1016/j.prenap.2025.100191","url":null,"abstract":"<div><div>The COVID-19 pandemic's unexpected outbreak devastated the global population on all fronts produced by SARS-CoV-2, a new coronavirus that the human immune system had never encountered. Expert opinion nearly instantly agreed that a mass immunization program would be the most efficient means of combating the epidemic by artificially boosting immunity. Nevertheless, it took over a year for the first COVID-19 vaccine to be approved. Definite treatment to manage COVID-19 is still a challenge. Aspirational eyes are being focused on phytoconstituents to eliminate the COVID-19 pandemic. The review's insights include a diverse natural product that appears to be significantly acting on potential host-based and virus-based targets. Lycorene, berberine, cannabidiol, baicalein, punicalagin, mangiferin, and silymarin are some compounds that are being used to manage the COVID-19 pandemic. The first barrier is broken by spike proteins at the membrane with ACE 2 and TMPRSS 2 receptors, where these targets are specifically inhibited by emodin and bromhexine, respectively. <em>Solanum trilobatum</em> L., <em>Alnus japonica, Angelica keiskei</em> (Miq.) Koidz.<em>,</em> and <em>Glycyrrhiza spp</em>. are a few plants that act on CLpro and PLpro proteinases. Helicase, part of RTC, can be blocked by scutellarein, isolated from <em>Scutellaria baicalensis</em> Georgi. Besides synthetic drugs, we must also consciously concentrate on the medicinal values of plant-based resources to defeat any pandemic situation. The review here anchors distinct analytical tools used in diagnosis. Techniques like Mass spectrometry and Nuclear Magnetic Resonance fill up the potential loopholes in conventional RT-PCR.</div></div>","PeriodicalId":101014,"journal":{"name":"Pharmacological Research - Natural Products","volume":"6 ","pages":"Article 100191"},"PeriodicalIF":0.0,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143578473","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":"Traditional herbal medicines as a preventive strategy for prediabetes and metabolic syndrome – A comprehensive review","authors":"Sathya Karunakaran ,&nbsp;Harini Priya Anbu ,&nbsp;Keerthana Vijayakumar ,&nbsp;Sangamithra Senthilkumar ,&nbsp;Yuvaraj Dinakarkumar","doi":"10.1016/j.prenap.2025.100199","DOIUrl":"10.1016/j.prenap.2025.100199","url":null,"abstract":"<div><div>Prediabetes and metabolic syndrome are turning out to be two of the biggest threats to global health, mainly due to bad lifestyle choices and poor diet. Prediabetes is a stage with respect to an individual when blood glucose levels are high and it tends to progress in a silent fashion to more serious health conditions. However, metabolic syndrome represents a cluster of risk factors shown to elevate the risks of diseases associated with diabetes mellitus and cardiovascular diseases. Herbal remedies, often used with lifestyle changes, have been relatively successful in controlling blood glucose levels, with improvements in metabolic health and reduction in inflammation. Relevant literatures have been retrieved from scientific databases like Scopus, Science Direct, Springer Link, Wiley, Google Scholar, Elsevier and Web of Science. The data collection was carried out using specific keywords like Herbal remedies, Impaired glucose tolerance, Insulin resistance, Metabolic disorders, Signaling pathways, Alternative medicine. This review will discuss the promise of herbal medicine in the prevention and management of prediabetes and metabolic syndrome, engage on the pathophysiology of the disorders, highlight the best herbs that have produced beneficial effects in studies and mention the challenges limiting the pervasive adoption of herbal interventions. Finally, this paper will outline future directions to push for further research, standardization and integration of herbal remedies into mainstream healthcare practices.</div></div>","PeriodicalId":101014,"journal":{"name":"Pharmacological Research - Natural Products","volume":"6 ","pages":"Article 100199"},"PeriodicalIF":0.0,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143592494","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":"Unveiling the antiophidian potential of epicatechin and isoquercetin from Tapinanthus globiferus growing on Acacia nilotica: An in silico and in vitro studies","authors":"Amina Jega Yusuf ,&nbsp;Musa Sadiq ,&nbsp;Aisha Iliyasu Bugaje ,&nbsp;Mustapha Salihu ,&nbsp;Abimbola M. Oluwajembola ,&nbsp;Olayinka S. Okoh","doi":"10.1016/j.prenap.2025.100197","DOIUrl":"10.1016/j.prenap.2025.100197","url":null,"abstract":"<div><div>Traditional medicine offers potential therapeutic options to myriad form of diseases that appear incurable. This study investigated the inhibitory potential of Epicatechin and Isoquercetin isolated from <em>Tapinanthus globiferus</em> growing on <em>Acacia nilotica</em> against <em>Naja nigricollis</em> phospholipase A₂ (PLA₂) enzyme. <em>In vitro</em> PLA₂ activity was assayed using an acidimetric method. <em>In silico</em> analysis of docking scores and pharmacokinetic properties were performed using established softwares (Autodock Vina, SwissADME, ProTox-II). Both Epicatechin and Isoquercetin exhibited concentration-dependent inhibition of PLA₂ enzyme activity, with Epicatechin demonstrating a more potent effect (inhibition range: 34.40 – 63.70 %) compared to Isoquercetin (25.42 – 57.18 %) at tested concentrations. <em>In silico</em> docking scores indicated favorable binding affinities for both compounds (-8.0 and −8.1 kcal/mol for Epicatechin and Isoquercetin, respectively). Toxicity studies predicted a relatively low hazard profile for both compounds (LD₅₀ &gt; 5000 mg/kg). ADME/Tox analysis suggested better lead-like properties for Epicatechin. In conclusion, Epicatechin and Isoquercetin isolated from <em>T. globiferus</em> exhibited promising anti-snake venom activity against <em>N. nigricollis</em> PLA₂ enzyme in both <em>in vitro</em> and <em>in silico</em> analyses. Epicatechin demonstrated superior enzyme inhibitory activity and favorable pharmacokinetic properties, warranting further investigation for potential development as a snakebite therapeutic.</div></div>","PeriodicalId":101014,"journal":{"name":"Pharmacological Research - Natural Products","volume":"6 ","pages":"Article 100197"},"PeriodicalIF":0.0,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143601388","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":"Antiparasitic, antioxidant and toxicological activities of methanolic extract from the inner mesocarp of Caryocar coriaceum Wittm. (Caryocaraceae)","authors":"José Thyálisson da Costa Silva ,&nbsp;Saulo Almeida Menezes ,&nbsp;Magaly Lima Mota ,&nbsp;Lariza Leisla Leandro Nascimento ,&nbsp;Adrielle Rodrigues Costa ,&nbsp;Luiz Neldecílio Alves Vitor ,&nbsp;Nara Juliana Santos Araújo ,&nbsp;Dhenes Ferreira Antunes ,&nbsp;Viviane Bezerra da Silva ,&nbsp;Maria Celeste Vega Gomez ,&nbsp;Míriam Rolón ,&nbsp;Cathia Coronel ,&nbsp;Tiana Tasca ,&nbsp;Maria Flaviana Bezerra Morais-Braga ,&nbsp;Henrique Douglas Melo Coutinho ,&nbsp;José Weverton Almeida-Bezerra","doi":"10.1016/j.prenap.2025.100196","DOIUrl":"10.1016/j.prenap.2025.100196","url":null,"abstract":"<div><div>Plants of the genus <em>Caryocar</em> are found in the Brazilian Cerrado, and have wide relevance, and their fruits are traditionally used as food and in folk medicine, standing out for their therapeutic properties. The species <em>Caryocar coriaceum</em> demonstrated biological activities such as anti-inflammatory, antimicrobial, and antiparasitic. Recent studies have suggested that <em>Caryocar coriaceum</em> may act as promising sources in the development of antiparasitic drugs, given the growing need for therapeutic alternatives to combat neglected parasitic diseases (NTD) that affect vulnerable populations in several tropical regions. The present study aimed to perform the phytochemical evaluation of the methanol extract of <em>C. coriaceum</em> (MECC), in addition to investigating its antiparasitic and antioxidant activities, as well as the possible toxicity against the model organism. The extract was analyzed by chromatographic techniques (HPLC and UPLC) coupled to mass spectrometry. <em>In vitro</em> tests were performed against <em>Trypanosoma cruzi, Leishmania amazonensis,</em> and <em>Trichomonas vaginalis</em>. The antioxidant activity was evaluated by the DPPH method, and the toxicity of MECC was analyzed in <em>Drosophila melanogaster</em> and mammalian fibroblast cells. Although the UPLC-DAD and HPLC-DAD chromatographic methods did not allow the identification of the compounds present in the MECC, a promising antiparasitic activity was observed, especially against <em>T. vaginalis</em>. In addition, no toxicity was observed in <em>D. melanogaster</em> and fibroblasts at clinical concentrations (values &lt; 1000 μg/mL), reinforcing the non-toxic profile of the extract. It is concluded that <em>Caryocar coriaceum</em> represents a source of natural products with trichomonacidal and trypanocidal potential, which needs further investigations on its composition and mechanism of action.</div></div>","PeriodicalId":101014,"journal":{"name":"Pharmacological Research - Natural Products","volume":"6 ","pages":"Article 100196"},"PeriodicalIF":0.0,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143578427","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":"Elucidating the potential role of quercetin in augmenting the acclimatization process via controlling high altitude induced redox imbalance in rats: A molecular approach","authors":"Vaishnavi Rathi ,&nbsp;Sarada S.K. Sagi ,&nbsp;Amit Kumar Yadav ,&nbsp;Manoj Kumar","doi":"10.1016/j.prenap.2025.100187","DOIUrl":"10.1016/j.prenap.2025.100187","url":null,"abstract":"<div><div>Hypoxia emerges as the major barrier at high altitude for military troops and mountaineers. Prophylaxis with carbonic anhydrase inhibitors like acetazolamide (ACZ) has been suggested for better adaptation and survival at altitude above 2500 m. The study present here compares the prophylactic efficacies of quercetin and acetazolamide in preventing Acute Mountain Sickness (AMS). We further aim to identify the potential pathway quercetin follows to exert its effects through binding studies with carbonic anhydrase (CA-II). Male SD rats (total number rats used=36) were supplemented orally with quercetin (50 mg/Kg BW) and acetazolamide (50 mg/Kg BW) and then subjected to hypobaric hypoxia (25,000 ft. for 12 h). Hypoxia induced oxidative imbalance, antioxidant inactivity and carbonic anhydrase activity were assessed in plasma of rats. The results obtained suggested that hypoxia induced oxidative imbalance (protein carbonylation) and antioxidant inactivity (glutathione reductase) was significantly restored by supplementation of quercetin in plasma of rats (<em>p</em> &lt; 0.001). However, ACZ supplemented normoxia rats showed, enhanced levels of protein carbonylation in plasma of these rats in comparison with the normoxia control group. Prophylactic potential of both the drugs were further evaluated with hematological and blood gas parameters as well. Western blotting studies determined the differential expressions of EPO, Nrf-2 and HO-1 in rat kidney homogenates. Later, binding affinity of quercetin with CA-II was evaluated with Surface Plasmon Resonance (SPR). Quercetin considerably restored the expression of EPO, Nrf-2 and HO-1 to optimum levels by attenuating the oxidative stress and promoting the antioxidant milieu in the hypoxia exposed rats. SPR and molecular data does not support such inhibition of CA-II with quercetin. Thus, quercetin might have explored some other mechanism to attain the acclimatization in rats under hypoxia. These results indicate that, quercetin is a safe and potent drug for high altitude adjustments for better adaptability.</div></div>","PeriodicalId":101014,"journal":{"name":"Pharmacological Research - Natural Products","volume":"6 ","pages":"Article 100187"},"PeriodicalIF":0.0,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143520779","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":"Caffeine, vanillin and their combination modulate purinergic enzyme activities, mRNA expressions of some synapticsentry proteins and histomorphological status of hippocampal tissue in aluminum chloride-induced neurotoxicity in rats","authors":"Olakunle Bamikole Afolabi ,&nbsp;Kikelomo Folake Jaiyesimi ,&nbsp;Oluwaseun Ruth Olasehinde ,&nbsp;Oyindamola Adeniyi Olaoye ,&nbsp;Lisa Ilobekemen Ekakitie ,&nbsp;Adedeji Enitan Adetunji ,&nbsp;Adedamola Adediran Fafure ,&nbsp;Emmanuel Babatunde Oluwafemi ,&nbsp;Omotade Ibidun Oloyede","doi":"10.1016/j.prenap.2025.100201","DOIUrl":"10.1016/j.prenap.2025.100201","url":null,"abstract":"<div><h3>Background</h3><div>The neurotoxic properties of aluminum (Al) is associated with Alzheimer's disease (AD) development. Consequently, there has been an increasing interest in exploring how bioactive compounds from functional foods mitigate the detrimental impact of this redox metal in AD. Hence, this study evaluated neuromodulatory effects of caffeine, vanillin and their combination on some hippocampal biochemical parameters in AlCl₃-induced neurotoxicity in rats.</div></div><div><h3>Methods</h3><div>Thirty-six (36) adult male Wistar rats (150–200 g) were randomly divided into 6 treatment groups of 6 rats each. Animals were exposed to AlCl₃ (100 mg/kg body weight, bw) orally at a single dose to induce neurotoxicity. Experimental AlCl₃-induced animals were administered with 50 mg/kg bw caffeine, vanillin and their combination for 21 days with donepezil (10 mg/kg bw) as control.</div></div><div><h3>Results</h3><div>However, following the 21 days treatment with 50 mg/kg caffeine, vanillin and their combination, a noticeable significant (p &lt; 0.05) decrease was observed in the hippocampal ENTPDase activity with a concomitant increase significantly (p &lt; 0.05) in eNTDase activity, respectively. Also, a significant (p &lt; 0.05) reduction was evident in the hippocampal relative mRNA gene levels of eNOS, AChE and β-amyloid protein with no significant difference in the expression of GABA receptor protein in some treatment groups compared to untreated AlCl₃-induced control group. Similarly, hippocampal architecture revealed a restoration of dentate gyrus with an increased granular cell counts after the 21 days of treatment.</div></div><div><h3>Conclusion</h3><div>Therefore, based on the findings of this report, caffeine, vanillin and their combination could be further studied as potential candidates for therapeutic management of AD.</div></div>","PeriodicalId":101014,"journal":{"name":"Pharmacological Research - Natural Products","volume":"6 ","pages":"Article 100201"},"PeriodicalIF":0.0,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143611201","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":"Viola species of western Himalayas as a potential medicinal spice for health benefits: A comprehensive review on ethnobotany, pharmacology and phytochemistry","authors":"Rishabh Kaundal ,&nbsp;Dinesh Kumar","doi":"10.1016/j.prenap.2025.100179","DOIUrl":"10.1016/j.prenap.2025.100179","url":null,"abstract":"<div><div>The <em>Viola</em> genus boasts about 800 species globally, found across Asia, Europe, North America, and Australia. Traditionally, <em>Viola</em> species have been employed in folk medicine to alleviate fever, asthma, colds, and respiratory ailments. Recent focus has been on <em>Viola</em> species found in India (IVS), reflecting their significance in traditional Indian medicine. Data on IVS was gathered from various databases and literature sources, showcasing their pharmacological activities and chemical compounds. <em>Viola</em> species are particularly utilized for respiratory issues, with Asian countries (India, China, Pakistan, and Afghanistan) contributing significantly to related research. Seven <em>Viola</em> species have been identified in India, notably <em>Viola odorata</em> and <em>Viola canescens</em>. These species contain diverse compounds such as polyphenols (flavonoids, phenolic acids) and cyclotides (peptides, proteins). The study suggested that Indian Himalayan region is most suitable for captive cultivation of Viola species. While pre-clinical research hints at promising pharmacological activities, further exploration and isolation of bioactive compounds are warranted. Ethnopharmacological records require more substantiation, urging comprehensive research on IVS for potential therapeutic applications.</div></div>","PeriodicalId":101014,"journal":{"name":"Pharmacological Research - Natural Products","volume":"6 ","pages":"Article 100179"},"PeriodicalIF":0.0,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143508478","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":"Ethnopharmacological survey and GC-MS profiling of medicinal plants in Surguja district, Chhattisgarh: Bridging traditional knowledge and bioactive compound discovery","authors":"Diptesh Kumar Bhoi ,&nbsp;Ramesh Kumar Ahirwar","doi":"10.1016/j.prenap.2025.100188","DOIUrl":"10.1016/j.prenap.2025.100188","url":null,"abstract":"<div><h3>Introduction</h3><div>Surguja District in Chhattisgarh, India, is a repository of rich ethnopharmacological knowledge vital for traditional healthcare and developing novel pharmacological applications. This study sought to document the traditional uses of medicinal plants in the region, assess their cultural and therapeutic significance, and identify bioactive species for further pharmacological investigation.</div></div><div><h3>Methods</h3><div>Ethnobotanical data were gathered from 289 informants (259 males, 30 females) across 43 villages using semi-structured interviews. Necessary permissions were obtained from the Divisional Forest Officer (DFO), Surguja. Quantitative indices such as Use Value (UV), Family Use Value (FUV), Informant Consensus Factor (ICF), and Jaccard Index (JI) were employed for data analysis. Additionally, GC-MS analysis was conducted on <em>Asparagus racemosus</em> Willd. and <em>Mirabilis jalapa</em> L. to identify bioactive compounds.</div></div><div><h3>Results</h3><div>A total of 183 plant species (180 angiosperms and 3 pteridophytes) representing 157 genera and 63 families were documented, addressing 92 human ailments. Among these, 25 species were used in veterinary medicine, 22 in magico-religious practices, and 56 as food plants. The Fabaceae family (24 taxa) and herbs (40.98 %) were predominant. The most utilized plant part was bark (19.11 %), while paste (55.72 %) was the most common preparation method. <em>Asparagus racemosus</em> Willd. exhibited the highest UV (1.28), followed by <em>Mirabilis jalapa</em> L. (1.22). Trauma-related ailments recorded the highest ICF (0.97). The JI revealed the most significant ethnobotanical similarity with Dindori, Madhya Pradesh. GC-MS analysis identified 30 bioactive compounds in <em>Asparagus racemosus</em> Willd. and 34 in <em>Mirabilis jalapa</em> L.</div></div><div><h3>Conclusions</h3><div>This study highlights the ethnopharmacological wealth of Surguja District, emphasizing the therapeutic potential of species like <em>Asparagus racemosus</em> Willd. Conservation initiatives and integrating traditional knowledge with modern scientific approaches are critical for sustainable biodiversity utilization and innovative drug development.</div></div>","PeriodicalId":101014,"journal":{"name":"Pharmacological Research - Natural Products","volume":"6 ","pages":"Article 100188"},"PeriodicalIF":0.0,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143552047","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":"ADMET analysis and evaluation of the effect of ortho-eugenol on the QacA/B efflux pump of Staphylococcus aureus","authors":"Jessyca Nayara Mascarenhas Lima ,&nbsp;Cristina Rodrigues dos Santos Barbosa ,&nbsp;Joycy Francely Sampaio dos Santos ,&nbsp;Jackelyne Roberta Scherf ,&nbsp;Thiago Sampaio de Freitas ,&nbsp;Larissa da Silva ,&nbsp;Nair Silva Macêdo ,&nbsp;Catarina Martins Tahim ,&nbsp;Elaine Cristina Pereira Lucetti ,&nbsp;Emmanuel Silva Marinho ,&nbsp;Hélcio Silva dos Santos ,&nbsp;Micheline Azevedo Lima ,&nbsp;Henrique Douglas Melo Coutinho ,&nbsp;Francisco Assis Bezerra da Cunha","doi":"10.1016/j.prenap.2025.100194","DOIUrl":"10.1016/j.prenap.2025.100194","url":null,"abstract":"<div><div>Antimicrobial resistance (AMR) is a significant global problem, with <em>Staphylococcus aureus</em> being a prominent multidrug-resistant bacterium, mainly due to mechanisms such as β-lactamase production and the QacA/B efflux pump system. These mechanisms impede effective treatment of the infection, necessitating the development of innovative therapeutic strategies. In this context, natural products such as ortho-eugenol, a synthetic isomer of eugenol, have attracted attention for their potential to modulate bacterial resistance. This study evaluated the antimicrobial activity of ortho-eugenol against <em>S. aureus</em> K4414, a strain harboring the QacA/B efflux pump. Despite having a minimum inhibitory concentration (MIC) of ≥ 1024 μg/mL, indicating weak antibacterial activity, its combination with penicillin resulted in a fivefold reduction in the MIC of the antibiotic (from 512 μg/mL to 101.6 μg/mL). This potentiating effect was not observed with the standard efflux pump inhibitor chlorpromazine, suggesting that the mechanism is not related to QacA/B inhibition but likely involves β-lactamase inhibition, as confirmed by the combination of ampicillin with sulbactam. In addition, ortho-eugenol in combination with ethidium bromide (EtBr) increased the MIC of EtBr, suggesting an antagonistic interaction. In contrast, chlorpromazine with EtBr decreased its MIC, confirming the functionality of the QacA/B efflux pump. Biophysical and predictive analyses revealed that ortho-eugenol has lipophilic properties and moderate metabolic stability, making it suitable for oral bioavailability with low central nervous system toxicity. However, a structural vulnerability related to the isolated alkene group was identified, indicating potential epoxidation during phase I metabolism, warranting controlled dosing. These findings highlight the potential of ortho-eugenol as a β-lactamase inhibitor.</div></div>","PeriodicalId":101014,"journal":{"name":"Pharmacological Research - Natural Products","volume":"6 ","pages":"Article 100194"},"PeriodicalIF":0.0,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143578543","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}