Saudi Pharmaceutical Journal最新文献

{"title":"Cannabidiol as an immune modulator: A comprehensive review.","authors":"Khizra Mujahid, Muhammad Shahzaib Rasheed, Azka Sabir, Jutaek Nam, Talha Ramzan, Waseem Ashraf, Imran Imran","doi":"10.1007/s44446-025-00005-7","DOIUrl":"10.1007/s44446-025-00005-7","url":null,"abstract":"<p><p>Cannabidiol (CBD), a non-psychoactive phytocannabinoid derived from Cannabis sativa, has emerged as a promising therapeutic agent due to its diverse pharmacological properties, including potent anti-inflammatory, neuroprotective, and immunomodulatory effects. CBD modulates immune responses, including the regulation of T cell activity, induction of macrophage apoptosis, suppression of pro-inflammatory cytokines, and modulation of signaling pathways involved in inflammation and immune homeostasis. A comprehensive literature search was conducted using PubMed, Scopus, and Web of Science databases to identify relevant preclinical and clinical studies on CBD's immunomodulatory effects. Preclinical and clinical studies demonstrate its efficacy in treating autoimmune diseases such as Type 1 diabetes, multiple sclerosis, rheumatoid arthritis, and inflammatory bowel disease, along with its potential in neuropathic pain and cancer therapy. Recent advancements in nanotechnology-based delivery systems have further enhanced CBD's therapeutic potential by improving its solubility, bioavailability, and targeted delivery, enabling innovative approaches for wound healing, inflammation management, and cancer treatment. However, challenges such as variability in immune responses, limited long-term safety data, and potential drug-drug interactions persist. This review comprehensively examines CBD's pharmacokinetics, pharmacodynamics, and immunomodulatory mechanisms, highlighting its clinical potential, existing limitations, and future directions in advancing its integration into precision medicine and immune regulation.</p>","PeriodicalId":49257,"journal":{"name":"Saudi Pharmaceutical Journal","volume":"33 3","pages":"11"},"PeriodicalIF":3.0,"publicationDate":"2025-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144129407","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Design, synthesis, biological evaluation and in silico studies of 2-anilino- 4-(benzimidazol- 1-yl)pyrimidine scaffold as antitumor agents.","authors":"Lamees S Al-Rasheed, Siddique Akber Ansari, Hanadi H Asiri, Ahmed H Bakheit, Abdulrahman A Al-Mehizia, Amsha S Alsegiani, Hamad M Alkahtani","doi":"10.1007/s44446-025-00010-w","DOIUrl":"10.1007/s44446-025-00010-w","url":null,"abstract":"<p><p>In an attempt to rationalize the search for new potential Chemotherapeutic agents, a new series of 2-anilinobenzimidazol derivatives with CDK activity have been synthesized. The newly synthesized compounds have been assessed for their cytotoxic effects and CDK activity. These presented compounds showed strong inhibition of cell proliferation in various solid cancer cell lines, suggesting a promising approach for treating malignant tumors. Compounds 4 g, 4j, 4 m, and 4q displayed remarkably strong anticancer potencies against HepG2 cells, with IC₅₀ of 7.59, 8.54, 3.56 and 5.88 µM, respectively, compared to the positive control, DOX (IC₅₀ = 4.50 µM). while compound 4 m, and 4q had the highest anticancer activity against HeLa cells, with an IC₅₀ of 6.39 and 9.71 µM, respectively, compared to the positive control DOX (IC₅₀ = 5.57 µM). On the other hand, comparison of IC₅₀ values against MCF-7 cells revealed that compounds 4 g, 4 m, and 4q showed significant anticancer potency with IC₅₀ of 5.08, 2.18 and 8.19 µM, respectively compared to that of the positive control DOX (IC₅₀ = 4.17 µM). Moreover, compound 4 m and 4q were the most potent CDK9 and CDK12 inhibitors. Furthermore, a molecular docking simulation were performed to explore the ability of compounds 4 m to adopt the common binding pattern of CDK9 and CDK12/T1 inhibitors. In silico ADMET results showed that all compounds have favourable drug-like properties since they met Lipinski's rule of five criteria. Overall, the synthesized anilinopyrimidine derivatives exhibit significant potential as chemotherapeutic agents.</p>","PeriodicalId":49257,"journal":{"name":"Saudi Pharmaceutical Journal","volume":"33 3","pages":"12"},"PeriodicalIF":3.0,"publicationDate":"2025-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144129409","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A comparative analysis of student perceptions on the effectiveness of academic advising at king saud university: a focus on experiences, satisfaction, and outcomes.","authors":"Jawza F Alsabhan, Rana Aljadeed, Lobna Aljuffali, Abdullah K Alshememry, Khalid Alhazzani, Mansour Almuqbil, Wedad M BinHazzaa, Nawal M Almalki, Abdullah A Alkohaiz, Manal Binjumah, Safra Albogami, Moody Alsubay, Abdullah R Almutairi, Ahmed Z Alanazi","doi":"10.1007/s44446-025-00015-5","DOIUrl":"10.1007/s44446-025-00015-5","url":null,"abstract":"<p><p>The current study investigated how students at King Saud University's College of Pharmacy perceive the effectiveness of the Academic Advising Unit and their experiences with academic advisors. Our study examined responses gathered from 164 participants, including 97 female and 67 male students, representing various academic years (2^nd to 6^th). The survey assessed several key aspects, including the availability of advisors, their knowledge and expertise, communication effectiveness, level of support and encouragement, ability to assist with goal setting, integration of feedback, accessibility of resources, and overall student satisfaction. The results of our study revealed that while the majority of students in the College of Pharmacy expressed satisfaction with and support for academic advising, a notable proportion of students exhibited ambivalence or dissatisfaction with the advising services. Regarding advisor availability, 57% of students expressed satisfaction, while 32% were indifferent, reflecting unmet needs. Similarly, in terms of communication, 62% were satisfied, but 28% were neutral, again suggesting an inconsistency in advisor responses. A similar trend was observed concerning advisor knowledge and expertise, with 58% satisfied and 31% neutral. Specifically, when questioned about guidance on research and extracurricular activities, only 48% expressed satisfaction. Overall, 61% felt that communication was beneficial in resolving their issues. Students were below-average in their satisfaction with the support provided during challenging times. Findings suggest that an average level of academic advising functioning and emphasized the need for more individualized and consistent academic advising to better meet student expectations.</p>","PeriodicalId":49257,"journal":{"name":"Saudi Pharmaceutical Journal","volume":"33 3","pages":"10"},"PeriodicalIF":3.0,"publicationDate":"2025-05-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144129307","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Quality assessment of some specific drug products beyond expiration dates in Saudi Arabia.","authors":"Haya Aljohar, Ghadah H Altoum, Shahad A Alkarni, Modhi M Alburaidi, Samiah Alhabardi","doi":"10.1007/s44446-025-00016-4","DOIUrl":"https://doi.org/10.1007/s44446-025-00016-4","url":null,"abstract":"<p><p>This study investigates the stability of expired emergency medications, dopamine, dexamethasone, naloxone, epinephrine, and dobutamine, beyond their labeled expiration dates in Saudi Arabia. The research addresses a critical issue in healthcare, where short shelf lives lead to substantial medication waste and financial losses. Using validated HPLC methods compliant with USP and BP guidelines, we analyzed the active pharmaceutical ingredient (API) content of these medications post-expiry. Our methodology involved collecting expired samples from public hospitals, which were stored under controlled conditions (protected from light and maintained at a consistent temperature between 15 °C and 30 °C), and conducting physical and chemical analyses to assess their stability. The results indicate that naloxone, dexamethasone, and dobutamine may be viable candidates for shelf-life extension programs, as they retained their API content within acceptable limits. However, epinephrine and dopamine exhibited stability challenges, with significant degradation observed in some samples. The findings suggest that pharmaceuticals can remain effective longer than their expiration dates, potentially reducing waste and improving resource management. However, packaging materials and storage conditions are crucial for maintaining drug stability. This study contributes to the ongoing discussion on shelf-life extension and highlights the need for further research to validate these results across different brands and environmental conditions. The implications of this research are significant, as extending shelf lives could enhance drug availability and reduce shortages, particularly for critical emergency medications like naloxone. Future studies should focus on conducting long-term stability tests under various climatic conditions to support shelf-life extension initiatives effectively.</p>","PeriodicalId":49257,"journal":{"name":"Saudi Pharmaceutical Journal","volume":"33 3","pages":"9"},"PeriodicalIF":3.0,"publicationDate":"2025-05-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144112483","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Neurobehavioral and molecular changes in rats exposed to either captagon or counterfeit captagon.","authors":"Yusuf S Althobaiti, Areej H Alshanbari, Doaa S Alshoaibi, Eman Abdulghani Khan, Hanan A Alghamdi, Saud S Aljuaid, Ammar A Alzilifi, Nwaf K Alsulimani, Osama A Alrizqi, Turki Alkhalifa, Ahmad Almalki, Walaa F Alsanie, Ahmed Gaber, Hashem O Alsaab","doi":"10.1007/s44446-025-00007-5","DOIUrl":"10.1007/s44446-025-00007-5","url":null,"abstract":"<p><p>The primary ingredient in captagon, a medication that is frequently abused in the Middle East, is fenethylline (FEN), which breaks down into theophylline and amphetamines (AMP). Due to the limited supply of genuine Captagon, fake Captagon (CC) has surfaced, comprising a variety of chemicals such as lidocaine, theophylline, AMP, caffeine, and diphenhydramine. This study compares the neurobehavioral consequences of CC with FEN, emphasizing the higher health concerns associated with CC. A total of 36 male Sprague Dawley rats were split up into five groups: CC (50 or 100 mg/kg), FEN (50 or 100 mg/kg), and control. Following therapy, body temperature and locomotor activity were recorded. Using quantitative real-time PCR (qRT-PCR), the expression of the Brain-Derived Neurotrophic Factor (BDNF) gene was examined in prefrontal cortex (PFC) samples. The findings indicated a higher risk of lethal hyperthermia because CC significantly increased body temperature and locomotor activity in comparison to FEN. Furthermore, a significant reduction in BDNF mRNA levels in the PFC following CC exposure raised the possibility of long-term cognitive and neuroplasticity deficits. According to these results, CC poses a significantly bigger risk because of its unexpected composition and more severe neurobehavioral effects, even though FEN is a recognized social menace. The present study underscores the pressing necessity of public health measures to curb the proliferation and misuse of CC. To lessen these new medications' detrimental effects on people and society as a whole, education about their risks and initiatives to stop their usage are crucial.</p>","PeriodicalId":49257,"journal":{"name":"Saudi Pharmaceutical Journal","volume":"33 1-2","pages":"7"},"PeriodicalIF":3.0,"publicationDate":"2025-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144112406","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhancing hepatocellular carcinoma treatment: synergistic cytotoxicity and mechanistic insights of Ramucirumab and 5-Azacytidine combination therapy.","authors":"Hadeel Almasoud, Fares A Alzahrani, Saud Alarifi, Badr Aldahmash, Bader Almutairi, Abdullah A AlKahtane, Khadijah N Yaseen, Bashayer Aljuhani, Saad Alkahtani","doi":"10.1007/s44446-025-00001-x","DOIUrl":"10.1007/s44446-025-00001-x","url":null,"abstract":"<p><p>Hepatocellular carcinoma (HCC) remains a leading cause of cancer-related mortality, with limited therapeutic options and poor prognosis for advanced stages. This study investigates the synergistic anticancer effects of Ramucirumab (RAM), a VEGFR-2 inhibitor, and 5-Azacytidine (5-Aza), a hypomethylating agent, on HCC cells, focusing on mechanisms of cytotoxicity, DNA damage, apoptosis, and cell cycle modulation. HuH-7 cells were treated with RAM and 5-Aza, alone and in combination, across varying concentrations. Cell viability was assessed using the Neutral Red Uptake assay, while DNA damage and apoptosis were evaluated through the TUNEL assay and protein array analysis. The expression of cell cycle and inflammatory genes was analyzed using quantitative real-time PCR (qRT-PCR). Result shows combination treatment significantly enhanced cytotoxicity compared to individual dose-dependent therapies. DNA damage was markedly increased in RAM-treated cells, with upregulation of apoptotic proteins CAS3, BID, BAD, p53, and FAS observed. In contrast, apoptotic proteins were markedly decreased in combination-treated cells. Cell cycle arrest was evident through the downregulation of key regulatory genes, including MCM2, MCM3, cyclin B1, and CDK2. Inflammatory cytokines IL-1β and IL-6 were repressed, while COX2 expression was elevated, suggesting oxidative stress as a possible mechanism. In conclusion, the synergistic effects of RAM and 5-Aza in HCC cells are mediated through increased damage to DNA, apoptosis, and arrest of cell cycle, offering potential treatment strategy for advanced HCC. Further experiments conducted in vivo are warranted to validate these findings and optimize treatment regimens.</p>","PeriodicalId":49257,"journal":{"name":"Saudi Pharmaceutical Journal","volume":"33 1-2","pages":"6"},"PeriodicalIF":3.0,"publicationDate":"2025-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144112353","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Exosomes derived from umbilical cord blood NK cells inhibit the progression of pancreatic cancer by targeting ROS-mediated mitochondrial dysfunction.","authors":"Yanyun Zheng, Xinfeng Zou, Qun Li, Dongjun Jiang, Feng Zhu, Yanqun Wu","doi":"10.1007/s44446-025-00009-3","DOIUrl":"10.1007/s44446-025-00009-3","url":null,"abstract":"<p><p>Emerging research indicates that natural killer (NK) cell-derived exosomes (NK-exo) play a significant role in cancer development. However, their regulatory mechanisms, particularly in pancreatic cancer, remain poorly elucidated. This study employed an in vitro co-culture system and an in vivo subcutaneous tumor model to evaluate the anti-tumor effect of NK-exo on pancreatic cancer. Umbilical cord blood (UCB)-derived NK-exo displayed characteristic exosomal morphology, size, and marker expression and was internalized by PANC- 1 cells. NK-exo significantly and dose-dependently reduce cell proliferation, migration, and invasion (P < 0.01). Further analysis demonstrated that NK-exo induced mitochondrial apoptosis in PANC- 1 cells by altering reactive oxygen species (ROS, P < 0.0001) and mitochondrial membrane potential (MPP) levels (P < 0.0001), effects that were significantly diminished with N-acetylcysteine (NAC) treatment (P < 0.0001). Furthermore, NK-exo treated PANC- 1 cells showed upregulation of the apoptotic markers Caspase3 (P < 0.0001) and Caspase9 (P = 0.0086) and reduced the release of PGC- 1α (P = 0.0064), TFAM (P < 0.0001), and SOD2 (P = 0.0021) as demonstrated by qRT-PCR. Western blot analyses revealed a dose dependent significant elevation of total Caspase3, Caspase9, Bax, and cytochrome c level and depression in the anti-apoptotic Bcl- 2. Animal experiments further confirmed that NK-exo treatment significantly reduced tumor volume and weight and increased Bax protein expression relative to the tumor model group. These findings indicate that NK-exo can enter PANC- 1 cells via endocytosis, induce mitochondrial oxidative damage, and suppress PANC- 1 cell progression, thereby demonstrating a robust anti-pancreatic cancer effect.</p>","PeriodicalId":49257,"journal":{"name":"Saudi Pharmaceutical Journal","volume":"33 1-2","pages":"8"},"PeriodicalIF":3.0,"publicationDate":"2025-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144112361","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Assessment of prostate cancer awareness and screening knowledge among men in Najran, Saudi Arabia: a cross-sectional study.","authors":"Yousif A Kariri","doi":"10.1007/s44446-025-00014-6","DOIUrl":"10.1007/s44446-025-00014-6","url":null,"abstract":"<p><p>Prostate cancer (PCa) is one of the most common male cancers and the second leading cause of cancer-related deaths among males worldwide. Efforts to increase men's awareness, understanding of the symptoms and risk factors, and provision of early medical assistance are crucial for the prevention and detection of PCa. This study assessed the level of awareness, knowledge, and screening for PCa among male participants in Najran, Saudi Arabia. A cross-sectional study was conducted with 341 male participants from 19 June 2024 to 25 September 2024. An online questionnaire was used to collect data. Bivariate data were analyzed and associations were considered significant when the p-value was ≤ 0.05. A total of 341 completed survey samples were collected. The mean age of the participants was 42 years (SD ± 8.17). The study found that most participants (70.4%) had adequate knowledge of PCa. However, only 30.5% were aware of the prostate-specific antigen (PSA) test, while a small minority (3.2%) had visited a specialized physician regarding PCa. The findings suggest that about 70% of male participants in Najran, Saudi Arabia, have an adequate level of awareness regarding the risk factors and screening for PCa. Recommendations include organizing more awareness campaigns, sharing information on social media, encouraging men to undergo screening tests, providing health education to primary care physicians and public-based organizations, and conducting further studies with larger numbers of participants to increase PCa awareness in Najran Province, Saudi Arabia.</p>","PeriodicalId":49257,"journal":{"name":"Saudi Pharmaceutical Journal","volume":"33 1-2","pages":"5"},"PeriodicalIF":3.0,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144112341","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Knowledge, attitude and practice towards anabolic-androgenic steroids utilisation among gymnasium attendees in Al-Qassim Province, Saudi Arabia.","authors":"Mahdi H Alsugoor","doi":"10.1007/s44446-025-00011-9","DOIUrl":"10.1007/s44446-025-00011-9","url":null,"abstract":"<p><p>Despite the serious side effects associated with anabolic-androgenic steroids (AAS) being well-documented, their widespread misuse for bodybuilding and endurance enhancement continues to be a concern worldwide. A substantial number of studies have been conducted, both internationally and in Saudi Arabia, to investigate knowledge, attitudes, and practices with respect to AAS use among gym users. These studies have been conducted in various cities throughout Saudi Arabia and have focused primarily on male gym users; however, no local studies have been conducted in Al-Qassim province. Therefore, this study aimed to investigate the knowledge, attitudes, and practices around AAS use of both male and female gym users in Al-Qassim Province. This community-based, cross-sectional, questionnaire-based study was conducted from January 2022 to March 2022 and recruited 415 gym users from 24 gyms in Al-Qassim. In the results, 62.9% of the participants were men, and 37.1% were women. The participants demonstrated diverse levels of knowledge about AAS: 74% had heard about AAS, and 72.8% and 71.6% were aware of AAS's effects on muscle and body weight, respectively. However, only 13.3% knew that AAS could cause breast enlargement. Regarding participants' attitudes towards AAS, the majority of the participants (83.6%) believed that using AAS harms health, and 52% and 52.8% of participants believed that there should be punishments for people who use or sell AAS, respectively, while 62.4% of participants felt sorry for AAS users. Our findings on participants' practices showed that 37.3% of participants knew someone who uses AAS, and most importantly, that 19.5% of the gym users (19.2% and 20.1% of male and female users, respectively) admitted that they have used AAS. 51.1% of the participants believed that these AAS are easy to obtain. The study also found a significant relationship between AAS use and sociodemographic variables, including marital status (p = 0.031), time spent in the gym (p = 0.016), chronic diseases (p = 0.028), and smoking (p = 0.031). In conclusion, despite the participants' relatively good knowledge, attitudes, and practices concerning AAS use, they lack knowledge on certain side effects. This could direct policymakers in managing and acting to increase awareness for bodybuilders and the public. In addition, the high prevalence of AAS users could alert the ministries of health and other related ministries to the need for strict rules, especially those stopping or at least minimising accessibility to these substances.</p>","PeriodicalId":49257,"journal":{"name":"Saudi Pharmaceutical Journal","volume":"33 1-2","pages":"4"},"PeriodicalIF":3.0,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144112403","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Characterization of soil-derived Bacillus subtilis metabolites against breast cancer: In vitro and in silico studies.","authors":"Ayesha Irfan Hashmi, Mehwish Iqtedar, Hamid Saeed, Nadeem Ahmed, Roheena Abdullah, Afshan Kaleem, Muhammad Athar Abbasi","doi":"10.1007/s44446-025-00006-6","DOIUrl":"10.1007/s44446-025-00006-6","url":null,"abstract":"<p><p>Breast cancer remains one of the most challenging and widespread cancers among women globally that warrants further investigations for novel agents to minimize side effects and disease recurrence. In this study, a soil bacterium was isolated and 16S rRNA nucleotide sequence homology and resultant phylogenetic tree analysis confirmed Bacillus subtills (CP020102.1). The crude extract of bacterial strain showed cytotoxicity (cell viability 63.1%) against human breast cancer cell line MCF-7 through MTT assay followed by further analysis through preparative HPLC showing 29 active fractions. Among all fractions, fraction 16 demonstrated cytotoxic potential as low as 54.03%. The spectral data of LC-MS, NMR and FTIR identified the bioactive compound as isatin based bacterial metabolite (Z)-N'-(1-hexyl-2-oxoindolin-3-ylidene)-4-methylbenzenesulfonohydrazide. This bioactive compound upon in silico docking analysis with HER2 showed a binding energy of -8.8 kcal/mol. ADMET calculations determined the pharmacokinetic behavior of the compound revealing acceptable distribution and absorption profiles. The drug-likeness of the compound was confirmed based on the Lipinski rule with zero violations. Molecular dynamic simulation (MDS) was also performed for 100 ns and a stable RMSF plot was observed. The results strongly propose that the identified compound has immense potential to be considered a drug candidate to develop further against human breast cancer.</p>","PeriodicalId":49257,"journal":{"name":"Saudi Pharmaceutical Journal","volume":"33 1-2","pages":"3"},"PeriodicalIF":3.0,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144112347","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}