Background: Acinetobacter baumannii is a multidrug-resistant (MDR) pathogen rec ognized by the World Health Organization as a critical priority due to its high preva lence in hospital-acquired infections and limited treatment options. Methods: To address the urgent need for novel therapeutics, artificial intelligence (AI)-based approaches were applied to predict compounds with potential antibacte rial activity against A. baumannii. Results: The used training set included 11 084 compounds with experimentally deter mined minimum inhibitory concentrations (MICs). The prediction set to be analyzed included 5835 structurally diverse compounds filtered from the ZINC20 database. Molecular descriptors, MACCS keys, and Morgan fingerprints were generated using RDKit, and a random forest classifier was trained using scaffold-based cross-val idation to classify compounds as active (MIC < 32 µg/mL) or inactive. The model achieved AUROC values of 0.73-0.82 and average precision scores of 0.84-0.90, demonstrating strong predictive performance. Application of the trained model to the prediction dataset identified 375 compounds (6%) as potentially active, includ ing 7 high-confidence candidates (probability > .85). Conclusion: Scaffold analysis revealed considerable structural diversity among pre dicted compounds, supporting the potential for novel chemotypes. These findings highlight the utility of AI-driven drug discovery workflows for accelerating the iden tification of antibacterial agents targeting MDR A. baumannii. Cite this article as: Arman İ. Predicting active antimicrobial compounds using machine learning. Trends in Pharmacy 2025, 2, 0018, doi: 10.5152/TrendsPharm.2025.25018.

Breast cancer is the most common cancer in women, making for one-third of all malignancies in females. Between 40 and 45 percent of instances of hereditary breast cancer are caused by mutations in the breast and ovarian cancer susceptibility gene 1 (BRCA1). Breast cancer risk is raised by mutations in its Really Interesting New Gene (RING) and BRCA1 C-Terminal (BRCT) domains. Thus, the goal of this study was to identify new mutations in the BRCA1 gene's RING and BRCT domains. To examine BRCA1 mutation spectra, 107 patients were chosen who had a documented family history of ovarian or breast cancer. Direct DNA sequencing and single-stranded conformational polymorphism (PCR-SSCP), both based on the polymerase chain reaction, were used to screen for mutations in the RING and BRCT domains of the BRCA1 gene. In-silico analysis was used for the in-vitro research outcome. The study's findings indicated that the population carries several BRCA1 sequence variations, including C.55C > A, C.36A > T, C.60A > T, C.199G > C, C.164A > T, C.251A > G, C.4996T > G, C.5032A > T, C.5041A > G, and C.5291T > A. The Breast Cancer Information Core (BIC) searched and examined the mutations. Every mutation was a new mutation. Additionally, a bioinformatics investigation revealed that several variations had an impact on the pathogenicity and stability of the protein. After calculating the relative risk (RR) of research linked to danger, it was found that there was a strong correlation (RR = 1) between the newly discovered genetic mutations and an elevated risk of breast cancer. Our research emphasizes the value of mutation screening in cases of familial ovarian or breast cancer, as well as the possible ramifications of these results for genetic counseling and cancer prevention.

Dexamethasone, a synthetic glucocorticoid drug, is widely used as an anti-inflammatory/anti-allergic agent worldwide. Several previous studies suggested that in the inflammatory or enriched free radical condition, Dexamethasone directly binds to DNA leading to DNA breakage/remodeling and subsequently cancer or other DNA breakage-related disorders. So, for the first time, we computationally and experimentally investigated the interaction of the Dexamethasone drug, alone and in combination with H2O2, ascorbic acid, iron, and copper, with a routine supercoiled plasmid DNA. In the next step, the intrinsic DNA binding constant (kd) was calculated using UV absorption titration method via Dexamethasone interaction with calf thymus DNA (ctDNA). Also, the interaction of the drug with antioxidant enzymes including catalase, superoxide dismutase, glutathione peroxidase 4, and glutathione reductase was investigated by molecular docking methods. Interestingly, our in-vitro study demonstrated that dexamethasone binds to DNA by binding energy of −5.35 kcal/mol. Our study also indicated that dexamethasone/DNA interaction leads to no DNA breakage while its combination with the mineral supplies causes DNA damage/breakage. These results are consistent with our Docking study that indicated dexamethasone strongly binds to DNA and the catalytic site of glutathione peroxidase 4, the FAD-binding site of the glutathione reductase, the active site of the superoxide dismutase, and NADPH binding residues of the catalase enzyme. Therefore, we hypothesize that Dexamethasone may indirectly cause DNA damage by inhibiting antioxidant defense enzymes and causing oxidative stress in cells.

In nature, lectins are widely dispersed proteins that selectively recognize and bind to carbohydrates and glycoconjugates via reversible bonds at specific binding sites. Many viral diseases have been treated with lectins due to their wide range of structures, specificity for carbohydrates, and ability to bind carbohydrates. Through hemagglutination assays, these proteins can be detected interacting with various carbohydrates on the surface of cells and viral envelopes. This review discusses the most robust lectins and their rationally engineered versions, such as lectibodies, as antiviral proteins. Fusion of lectin and antibody's crystallizable fragment (Fc) of immunoglobulin G (IgG) produces a molecule called a "lectibody" that can act as a carbohydrate-targeting antibody. Lectibodies can not only bind to the surface glycoproteins via their lectins and neutralize and clear viruses or infected cells by viruses but also perform Fc-mediated antibody effector functions. These functions include complement-dependent cytotoxicity (CDC), antibody-dependent cell-mediated cytotoxicity (ADCC), and antibody-dependent cell-mediated phagocytosis (ADCP). In addition to entering host cells, the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) spike protein S1 binds to angiotensin-converting enzyme 2 (ACE2) and downregulates it and type I interferons in a way that may lead to lung disease. The SARS-CoV-2 spike protein S1 and human immunodeficiency virus (HIV) envelope are heavily glycosylated, which could make them a major target for developing vaccines, diagnostic tests, and therapeutic drugs. Lectibodies can lead to neutralization and clearance of viruses and cells infected by viruses by binding to glycans located on the envelope surface (e.g., the heavily glycosylated SARS-CoV-2 spike protein).

Verapamil is commonly used oral drug for treatment of high blood pressure and heart diseases worldwide. Here, we investigated the effect of verapamil on two of human intestinal flora bacterial strains Enterococcus faecalis and Escherichia coli using the broth medium dilution method and agar disc diffusion method. In addition, DNA was treated with verapamil, verapamil plus H2O2, verapamil plus ascorbic acid, verapamil plus iron and verapamil plus copper and analyzed by agarose gel electrophoresis. The interaction of verapamil with DNA was investigated by UV-Vis spectrophotometer and in silico methods. Verapamil inhibited the growth of both E. faecalis and E. coli up to 90% at concentrations of 9, 18 and 25 mM. The concentration of 9 mM (480 mg dose) of the drug was found as both MIC and MBC value for the two bacterial strains. The drug did not show any breaking or protective effect on the supercoiled plasmid DNA. In the UV-Vis spectrophotometer analysis, verapamil did not show any interaction with the DNA. In contrast, in silico analysis showed the drug to bind to a minor groove of double helix DNA by hydrogen bonds and hydrophobic interactions with the binding energy of -7.3 kcal/mol and binding constant (K-b) value of 2.3 x10(5) M-1.

This study aimed to investigate the efficacy of incorporating the Posner and Stepans model of conceptual change in correcting misconceptions in the ninth grade students. The two researchers followed the experimental approach, as the experimental study sample consisted of (144) male and female students from a community consisting of (3838) male and female students in the ninth grade in the South Hebron District, distributed in two groups, one is an officer and the other is experimental and each of them (72) male and female students in each From Al-Daheria Elementary Boys School and Doma Secondary Girls. A test was constructed for misconceptions in the Engineering and Measurement Unit, where its validity was verified by presenting it to a group of experts and specialists, as well as finding the coefficient of stability, which amounted to 0.89. Mathematical averages and standard deviations were calculated, the accompanying variance test (ANCOVA) as well as the effect size of the Eta Square (η2) was calculated. The results of the study showed that there were statistically significant differences for the ninth grade students in the correction of misconceptions of misconceptions according to the teaching method that was carried out according to the proposed model in the study and in favor of the experimental group, and the absence of statistically significant in the test of correction of misconceptions according to the gender variable and the absence of statistically significant differences Depending on the interaction between the method and gender. In light of these results, the study recommended employing the Posner and Stepans model in the light of conceptual change strategies to correct misconceptions, and conduct further studies on conceptual change strategies to see their impact on other dependent variables such as attitudes and motivation towards mathematics.

Bezafibrate, an antilipemic agent has important effects on fatty acid metabolism and insulin sensitivity.Researches are very interested to study Drug-DNA interactions because DNA is an important material in maintaining cell life.In this research, DNA and protein binding activity of bezafibrate was studied by UV absorption titration and molecular docking method.In addition, the effect of the drug on Escherichia coli as a human intestinal flora bacterial strain was examined using Broth Dilution method and Agar Disc Diffusion method.In this research Docking study showed that bezafibrate made 3 hydrogenic bonds and some hydrophobic bonds with the minor groove of double-helix DNA and with colchicine binding site between α-tubulin and β-tubulin.Bezafibrate showed no effect on the growth of the bacterial strain not only in the dilution method but also in the agar disc diffusion method.

Fluconazole is an antifungal drug, which is in the class of azole derivatives and it is widely used worldwide. To date, there have been some studies published in the literature on the genotoxicity and cytotoxicity of fluconazole, indicating that the drug has a serious toxic effect. According to our research, there is no study on the antibacterial effect of fluconazole. Therefore, this research aimed to investigate the effect of fluconazole on the growth of some flora bacterial strains. The Mueller Hinton liquid medium containing different concentrations of fluconazole (24, 12, 6, and 3 mM) was prepared and inoculated with bacterial suspensions to adjust to Macfarland 0.5. After the culture was incubated for 24 hours at 150 rpm at 37 ° C, the growth of the strains was examined using the UV-visible spectrophotometer and CFU (colony forming unit) count. In addition, the growth of strains was repeated using sterile discs containing concentrations of fluconazole (24, 12, 6, and 3 mM) on the Mueller Hinton solid medium. After treated with the 24mM concentration of fluconazole, the growth rate of Enterococcus faecalis, Enterobacter cloacae, Escherichia coli and Proteus mirabilis strains, were reduced about 35%, 20%, 20% and 22%, respectively. Any of the drug concentration did not showed inhibitory effect on the bacterial strains on the Mueller Hinton solid medium.

Fluconazole is an important antifungal drug used worldwide for the treatment of peritonitis and cryptococcal meningitis, urinary tract infections, esophageal tract infections and vaginal candidiasis. In this research, pUC19 plasmid DNA was treated with different concentrations of fluconazole in the presence of ascorbic acid, H2O2, iron, iron plus H2O2, copper and copper plus ascorbic acid, followed by agarose gel electrophoresis. Fluconazole?DNA interactions were investigated by UV?Vis spectrophotometeric titration and in silico methods. Even in the presence of an oxidative agent or a reducing agent, at higher concentrations of fluconazole, double stranded DNA was not broken more than usually found in human plasma. Fluconazole concentrations ? 88 ?M could protect 46 ?M of DNA against hydroxyl radicals produced in the reaction between 1.5 mM of FeSO4 and 6 mM of H2O2 while drug concentrations ? 44 ?M could not provide the protection. In addition, the drug could not protect DNA against ROS originating from the reaction between copper and ascorbic acid. The binding constant of fluconazole?DNA in UV-Vis spectrophotometry analysis and docking analysis was estimated to be 1.087?103 and 6.22?105 M-1, respectively.

This study aimed at investigating the Effectiveness of Mantle of the Expert in creative thinking Skills among the 7th Graders. The study conducted on a sample of 7th Graders at Kober Secondary Boys School and Upper Kober Elementary Girls School. The study sample consisted of (100) students split into two groups (experimental and control). The researcher adopting the Torrance test for creative thinking the verbal image "A" by examining the tests used in the Ristow study (1988), Edwards and Baldov (1987) study, and designing a teacher book for the (engineering and measurement) unit according to the integration between the strategies of the mantle of the expert and role playing. This study adopted quasi-experimental design. It included two groups (experimental and controlled) in two branches (males and females) for each group. The controlled group was taught by using the traditional method whereas the experimental group by the mantle of the expert. The data analyzed using (ANCOVA) test to measure the differences in the development of creative thinking between the control and experimental groups. The Conclusions showed that there are statistically significant differences in the mean scores of the creative thinking test due to the way, gender and interaction between them. Based on the Conclusions of the study, the researcher recommends the need to use the mantles of the expert in the teaching of mathematics.

Amaç: Bezafibrat genellikle hiperlipidemi ve diyabetik hastaları tedavi etmek için kullanılır

This study aims to identify the nature of students’ difficulties in written expression in the Departments of English and Arabic at Al-Quds University. It also aims to identify the impact of each of the variables gender, level, department and achievement on the degree of students’ writing difficulties in both departments. To achieve the objective of the study, a questionnaire was designed comprising 32 items applied to the study sample which consisted of 128 students from the Departments of Arabic and English at Al-Quds University in Palestine. The results of the study showed that students’ difficulties in written expression were fain in degree; they also revealed statistically significant differences in the averages of students’ difficulties in written expression due to gender in favor of females, and the presence of statistically significant differences in the averages of the difficulties in written expression due to level, and in favor of third and fourth year students; there were also statistically significant differences in the averages due to department and in favor of the Department of Arabic. The results of the study showed that there were no statistically significant differences in the averages of the difficulties of written expression due to level of achievement. Based on the results of the study, the researchers recommended the need to hold language activities in class, such as reading and writing articles and short stories, which overuse words and vocabulary that may help to develop students’ written expression, and there is a need to instate a course for written expression on the graduation plans of the above-mentioned departments, and the importance of taking into account students' tendencies when choosing topics that include written expression. Article visualizations:

The purpose of this study is to determine the degree of faculty’s use and stimulation of critical thinking skills in the English Department at Al-Quds University. To achieve the objective of the study, a questionnaire consisting of 21 items was designed and applied to the study sample, consisting of 95 students in the English Department at Al-Quds University in Palestine. In addition to that, 11 students from the same department were interviewed. The results of the study showed that the degree of faculty’s use and stimulation of critical thinking skills in the English Department were medium, and that there were no statistically significant differences in the degree of the faculty’s use and stimulation of critical thinking due to gender and performance, and the presence of significant differences was due to level and in favor of third year English majors. The results of the students’ interview also showed that there were skills that teachers used largely as the skill of interpretation and analysis, and that there were skills which were fairly used such as the skill of inference, and the assessment skill was low. In light of the results of the study, the researchers recommended the need for further similar studies on different samples and departments, the need of including a single course in critical thinking in the Faculty of Arts, and the need to hold workshops for teachers on critical thinking skills, especially the skill of assessment. Keywords: Use and stimulation, critical thinking, English majors, Al-Quds University

Information and Communication Technologies (ICT) in mathematical education is a very active field of research and innovation, where learning is understood to be meaningful and grasping multiple linked representation rather than rote memorization, a great amount of literature offering a wide range of theories, learning approaches, methodologies and interpretations, are generally stressing the potentialities for teaching and learning using ICT. Despite the utilization of new learning approaches with ICT, students experience difficulties in learning concepts relevant to understanding mathematics, much remains unclear about the relationship between the computer environment, the activities it might support, and the knowledge that might emerge from such activities. Many questions that might arise in this regard: to what extent does the use of ICT help students in the process of understanding and solving tasks or problems? Is it possible to identify what aspects or features of students' mathematical learning can be enhanced by the use of technology? This paper will highlight the interest of the integration of information and communication technologies (ICT) into the teaching and learning of mathematics (quadratic functions), it aims to investigate the effect of four instructional methods on students' mathematical understanding and problem solving. Quantitative and qualitative methods are used to report about 43 students in middle school. Results showed that mathematical thinking and problem solving evolves as students engage with ICT activities and learn cooperatively.

Information and Communication Technologies (ICT) in mathematical education is a very active field of research and innovation, where learning is understood to be meaningful and grasping multiple linked representation rather than rote memorization, a great amount of literature offering a wide range of theories, learning approaches, methodologies and interpretations, are generally stressing the potentialities for teaching and learning using ICT. Despite the utilization of new learning approaches with ICT, students experience difficulties in learning concepts relevant to understanding mathematics, much remains unclear about the relationship between the computer environment, the activities it might support, and the knowledge that might emerge from such activities. Many questions that might arise in this regard: to what extent does the use of ICT help students in the process of understanding and solving tasks or problems? Is it possible to identify what aspects or features of students' mathematical learning can be enhanced by the use of technology? This paper will highlight the interest of the integration of information and communication technologies (ICT) into the teaching and learning of mathematics (quadratic functions), it aims to investigate the effect of four instructional methods on students' mathematical understanding and problem solving. Quantitative and qualitative methods are used to report about 43 students in middle school. Results showed that mathematical thinking and problem solving evolves as students engage with ICT activities and learn cooperatively.