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Artificial intelligence in the radiological diagnosis of cancer.
IF 1.9
Bioinformation Pub Date : 2024-09-30 eCollection Date: 2024-01-01 DOI: 10.6026/9732063002001512
Bassam Alkhalifah
{"title":"Artificial intelligence in the radiological diagnosis of cancer.","authors":"Bassam Alkhalifah","doi":"10.6026/9732063002001512","DOIUrl":"10.6026/9732063002001512","url":null,"abstract":"<p><p>Artificial intelligence (AI) is being used to diagnose deadly diseases such as cancer. The possible decrease in human error, fast diagnosis, and consistency of judgment are the key incentives for implementing these technologies. Therefore, it is of interest to assess the use of artificial intelligence in cancer diagnosis. Total 200 cancer cases were included with 100 cases each of Breast and lung cancer to evaluate with AI and conventional method by the radiologist. The cancer cases were identified with the application of AI-based machine learning techniques. The sensitivity and specificity check-up was used to assess the effectiveness of both approaches. The obtained data was statistically evaluated. AI has shown higher accuracy, sensitivity and specificity in cancer diagnosis compared to manual method of diagnosis by radiologist.</p>","PeriodicalId":8962,"journal":{"name":"Bioinformation","volume":"20 9","pages":"1512-1515"},"PeriodicalIF":1.9,"publicationDate":"2024-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11795495/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143363205","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}
引用次数: 0
Clinical characterization, molecular and genomic sequencing analysis of SARS-Cov-2 during second wave at Raigarh, Chhattisgarh, India.
IF 1.9
Bioinformation Pub Date : 2024-09-30 eCollection Date: 2024-01-01 DOI: 10.6026/9732063002001059
Anubha Patel, Anuniti Mathias, Ashish Baghel, Ankita Kumari, Swati Kujur
{"title":"Clinical characterization, molecular and genomic sequencing analysis of SARS-Cov-2 during second wave at Raigarh, Chhattisgarh, India.","authors":"Anubha Patel, Anuniti Mathias, Ashish Baghel, Ankita Kumari, Swati Kujur","doi":"10.6026/9732063002001059","DOIUrl":"10.6026/9732063002001059","url":null,"abstract":"<p><p>The severe acute respiratory syndrome coronavirus-2 (SARS-Cov-2) has been changing continuously. This study was conducted to evaluate clinical characteristics, Molecular analysis & Genomic sequencing of SARS-Cov-2 during second wave in Raigarh district, Chhattisgarh, India. This study evaluated 13402 breakthrough cases of COVID -19. The laboratory obtained the nasopharyngeal/oropharyngeal swabs (NPS/OPS) of SARS-CoV-2 patients who tested positive by real-time RT-PCR, together with clinical and demographic information. Next generation sequencing (NGS) was used to sequence these clinical specimens in order to identify nucleotide changes in the SARS-CoV-2 genome from these strains. In the study population, variants of concern (VOCs) and other variations were looked for. Clinical severity was mild in 47.05% patients with mutational variants; while 52.94% patient's clinical severity was moderate. Delta (B.1.617.2) was the most common VOC detected. Among non VOC variants, AY.4 and AY.12 variants were most commonly detected. Envelope (E) gene and RNA-dependent RNA polymerase (RdRp) mutation were most commonly observed.</p>","PeriodicalId":8962,"journal":{"name":"Bioinformation","volume":"20 9","pages":"1059-1064"},"PeriodicalIF":1.9,"publicationDate":"2024-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11795479/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143363242","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}
引用次数: 0
Early diagnosis of oral submucous fibrosis using salivary 8-OHDG and 8-Isoprostane.
IF 1.9
Bioinformation Pub Date : 2024-09-30 eCollection Date: 2024-01-01 DOI: 10.6026/9732063002001042
Bireswar Roy, Shaili Ghosh, Ss Mohamed Abdulcader Riyaz, Madhvika Patidar, Urmi Mehta, Priya Agarwal, Pushkar Gupta
{"title":"Early diagnosis of oral submucous fibrosis using salivary 8-OHDG and 8-Isoprostane.","authors":"Bireswar Roy, Shaili Ghosh, Ss Mohamed Abdulcader Riyaz, Madhvika Patidar, Urmi Mehta, Priya Agarwal, Pushkar Gupta","doi":"10.6026/9732063002001042","DOIUrl":"10.6026/9732063002001042","url":null,"abstract":"<p><p>Oral submucous fibrosis (OSMF) is a condition that may be cancerous. The prognosis of OSMF is determined by a number of biomarkers, including 8-hydroxy 2' de-oxy-guanosine and 8-isoprostane. It is possible to assess the levels of 8-OHdG and 8-isoprostane in blood and saliva. Therefore, it is of interest to estimate salivary 8-OHdG and 8-isoprostane levels in order to diagnose oral submucous fibrosis. A sample size of 40 was divided into two groups with 20 samples in each, <i>i.e.</i>, Group I - Healthy group (gutka consumers without any lesion) and Group II -Test (gutka consumers with OSMF). Samples of serum and saliva were taken from each group. Then samples were centrifuged for 15-20 minutes at 1000 RPM and 2-8°C. The resulting supernatant was pipetted out into labelled Eppendorf tubes in a volume of 1.5 ml, and it was then kept at 80°C. 8-OHdG and 8-isoprostane concentrations in various samples were determined using the ELISA technique. Serum's 8-OHdG content was considerably lower than saliva sample (P-value <0.05). The test group exhibited increased concentrations of 8-OHdG and 8-isoprostane in both saliva and serum samples when compared to the control group. 8-OHdG and 8-isoprostane can be utilised to diagnoses of OSMF.</p>","PeriodicalId":8962,"journal":{"name":"Bioinformation","volume":"20 9","pages":"1042-1045"},"PeriodicalIF":1.9,"publicationDate":"2024-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11795467/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143363328","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}
引用次数: 0
Mental health characteristics of re-entering dropout Indian students.
IF 1.9
Bioinformation Pub Date : 2024-09-30 eCollection Date: 2024-01-01 DOI: 10.6026/9732063002001034
Baskaran M
{"title":"Mental health characteristics of re-entering dropout Indian students.","authors":"Baskaran M","doi":"10.6026/9732063002001034","DOIUrl":"10.6026/9732063002001034","url":null,"abstract":"<p><p>Education plays a pivotal role in shaping individual development and societal progress, yet dropout rates remain a significant challenge, particularly in developing countries like India. Dropout decisions often stem from complex social, economic and psychological factors, impacting students' mental health. This comparative descriptive study assessed and compared the mental health characteristics of 30 re-entering dropout students and 30 regular students from Integral Coach Factory (ICF) Hr. Sec. School, Ayanavaram, Chennai. Data collection utilized a structured questionnaire capturing demographic variables and the modified Abraham and Prasanna Mental Health Characteristics Scale. Re-entering dropout students exhibited lower mental health scores across physical, intellectual, familial, social, and psychological dimensions compared to regular students (p < 0.001). Significant associations were observed between mental health and father's education level among re-entering dropouts (p < 0.001), emphasizing its influence on well-being The study underscores disparities in mental health between re-entering dropout students and their peers, highlighting the need for targeted interventions and supportive environments in educational settings. Addressing these disparities can enhance overall well-being and academic success among re-entering dropout students.</p>","PeriodicalId":8962,"journal":{"name":"Bioinformation","volume":"20 9","pages":"1034-1037"},"PeriodicalIF":1.9,"publicationDate":"2024-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11795483/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143363427","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}
引用次数: 0
Optimization and characterisation of water based keratin nanoparticles with Nigella sativa seed extract.
IF 1.9
Bioinformation Pub Date : 2024-09-30 eCollection Date: 2024-01-01 DOI: 10.6026/973206300200957
Lawrance Antonysamy, Leema Rose Mary Devasahayam, Saradhadevi Muthukrishnan, Senthamizhselvan Anbazhagan, Marie Arockianathan Pushpam
{"title":"Optimization and characterisation of water based keratin nanoparticles with <i>Nigella sativa</i> seed extract.","authors":"Lawrance Antonysamy, Leema Rose Mary Devasahayam, Saradhadevi Muthukrishnan, Senthamizhselvan Anbazhagan, Marie Arockianathan Pushpam","doi":"10.6026/973206300200957","DOIUrl":"10.6026/973206300200957","url":null,"abstract":"<p><p>Drug delivery technologies have been proven to improve treatment outcomes in many ways by enriching curative efficacy, reducing toxicity, increasing patient compliance and enabling entirely new type of medical treatments. In this study, keratin nanoparticles (KNPs) were prepared from chicken feathers and loaded with <i>Nigella sativa</i> seed extract (NSSE-KNPs) by adsorption method using doubled distilled water without using cross linkers, organic solvents and surfactants. The prepared KNPs and NSSE-KNPs were characterized by Dynamic light scattering (DLS), X-ray diffraction study (XRD), Fourier transform infrared spectroscopy (FT-IR) and scanning electron microscopy (SEM). The Encapsulation efficiency (EE) and loading capacity (LC) of NSSE-KNPs was found to be 82% and 70 % respectively. The drug release profile showed that KNPs exhibited slight difference in both acidic (pH 4.4) and basic (pH 7.4) environment. The prepared water-based KNPs and NSSE-KNPs also exhibited narrow PDI value and good negative <i>zeta potential</i>. The morphology of the keratin nanoparticles and <i>Nigella sativa</i> loaded keratin nanoparticles showed solid spheres, spherical and smooth shape distribution. The FTIR spectra revealed the possible hydrogen bonding formation after addition <i>Nigella sativa</i> seed extract to the keratin nanoparticles. In XRD analysis, both KNPs and NSSE-KNPs retained its chemical structure and crystallinity. The antibacterial effect was also observed for NSSE-KNPs against <i>Staphylococcus aureus</i> and <i>Escherichia coli</i>. Thus, the keratin nanoparticles loaded NSSE extract emerged as a potential candidate for future cancer treatment.</p>","PeriodicalId":8962,"journal":{"name":"Bioinformation","volume":"20 9","pages":"957-965"},"PeriodicalIF":1.9,"publicationDate":"2024-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11795461/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143363438","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}
引用次数: 0
Stability analysis of elastomeric impression materials after antimicrobial disinfection.
IF 1.9
Bioinformation Pub Date : 2024-09-30 eCollection Date: 2024-01-01 DOI: 10.6026/9732063002001070
Santosh T, Pushkar Gupta, Omar Basheer Altaher Mohammed, Aditi M Paranjpe, Harsh Chansoria, Abhishek Pathak, Dayanand Huddar, Sanchari Bhowmick
{"title":"Stability analysis of elastomeric impression materials after antimicrobial disinfection.","authors":"Santosh T, Pushkar Gupta, Omar Basheer Altaher Mohammed, Aditi M Paranjpe, Harsh Chansoria, Abhishek Pathak, Dayanand Huddar, Sanchari Bhowmick","doi":"10.6026/9732063002001070","DOIUrl":"10.6026/9732063002001070","url":null,"abstract":"<p><p>Impression materials used for replication of dental structures frequently come into touch with blood and saliva during the impression operation. Hence, disinfection of impression mistrials is needed. Therefore, it is of interest to evaluate the effects of three different disinfectants on the antibacterial activity and dimensional stability of the elastomeric impression material. According to American Dental Association (ADA) specification number 19 compliant, a stainless steel master die was constructed. Using vinyl polysiloxanes (VPS) impression medium, thirty samples were produced on this die in accordance with the manufacturer's instructions. To finish the disinfection process, thirty samples were randomly assigned to each of the three groups: Group I consisted of diluted water (control group), Group II consisted of 5.25 percent sodium hypochlorite (NaOCl), and Group III consisted of ozone gas and Group IV - UV radiation. The dimensional stability was evaluated using a stereomicroscope with a 20x magnification and image research software. The antibacterial efficacy of each disinfectant was assessed. In the VPS impression material, the control group exhibited the greatest number of dimensional changes, with ozone gas and 5.25% NaOCl showing the least amount of dimensional changes. The groups were found to differ statistically significantly from one another. The results of the investigation indicate that the VPS elastomeric impression showed very minor dimensional changes when submerged in different disinfectants. In a clinical setting, samples cleaned with 5.25% hypochlorite can be kept for a long time because the consequent dimensional changes are minimal. Ozone gas, UV radiation and sodium hypochlorite showed a reduction in the amount of bacteria.</p>","PeriodicalId":8962,"journal":{"name":"Bioinformation","volume":"20 9","pages":"1070-1074"},"PeriodicalIF":1.9,"publicationDate":"2024-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11795470/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143363485","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}
引用次数: 0
In vivo evaluation of apical third enlargements to twice and thrice larger than initial apical binding file in final treatment outcome.
IF 1.9
Bioinformation Pub Date : 2024-09-30 eCollection Date: 2024-01-01 DOI: 10.6026/9732063002001116
Kranti Rajesh Khadse, Rana K Varghese, Malwika Sisodia, Naveen Kumar Gupta, Priyanka Damodhar Ippar, Anushri Arvind Uge
{"title":"<i>In vivo</i> evaluation of apical third enlargements to twice and thrice larger than initial apical binding file in final treatment outcome.","authors":"Kranti Rajesh Khadse, Rana K Varghese, Malwika Sisodia, Naveen Kumar Gupta, Priyanka Damodhar Ippar, Anushri Arvind Uge","doi":"10.6026/9732063002001116","DOIUrl":"10.6026/9732063002001116","url":null,"abstract":"<p><p>Root canal treatment is a critical procedure in endodontics, aimed at eliminating microorganisms and pathological debris from the root canal system to prevent reinfection and ensure the health of the periradicular tissues. A total of 180 patients with asymptomatic apical periodontitis (PAI score >3) were included in this randomized clinical trial. Patients were divided into two main groups, each with three subgroups based on the biomechanical preparation of the canals using different file sizes and tapers. Biomechanical preparation was followed by intracanal medicament placement, and patients were recalled for obturation and final restoration. Postoperative pain was assessed using the Visual Analog Scale (VAS) at 6, 12, 24, 48 and 72 hours post-treatment. Periapical healing was evaluated using the Periapical Index (PAI) at 3,6 and 12 months post-treatment. While larger apical preparation sizes and tapers can enhance periapical healing, excessive enlargement beyond three sizes larger than the IABF does not significantly improve outcomes. Optimal root canal treatment should balance adequate cleaning and disinfection with the preservation of tooth structure.</p>","PeriodicalId":8962,"journal":{"name":"Bioinformation","volume":"20 9","pages":"1116-1119"},"PeriodicalIF":1.9,"publicationDate":"2024-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11795462/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143363562","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}
引用次数: 0
Aloe vera vs chlorhexidine in preventing alveolar osteitis.
IF 1.9
Bioinformation Pub Date : 2024-09-30 eCollection Date: 2024-01-01 DOI: 10.6026/973206300200993
Shruti Ajmera, Sunil Sharma, Amit Kumar Sharma, Vikram Sharma, S Meera Petchiammal, Shraddha Sinha
{"title":"Aloe vera vs chlorhexidine in preventing alveolar osteitis.","authors":"Shruti Ajmera, Sunil Sharma, Amit Kumar Sharma, Vikram Sharma, S Meera Petchiammal, Shraddha Sinha","doi":"10.6026/973206300200993","DOIUrl":"10.6026/973206300200993","url":null,"abstract":"<p><p>Alveolar Osteitis (AO) is a common and painful complication following tooth extraction or surgical excision, necessitating early treatment to minimize costs, morbidity, and frequent dental visits. Chlorhexidine (CHX) is the most widely used antiseptic, while Aloe Vera, a natural herbal plant, is gaining popularity in dentistry due to its minimal side effects. This study aimed to evaluate the efficacy of normal saline, Aloe Vera, and chlorhexidine mouthwashes in reducing the incidence of AO after lower third molar surgery. In a randomized controlled trial, 150 patients were divided into three groups: Group 1 (Chlorhexidine Mouthwash), Group 2 (Aloe Vera Mouthwash), and Group 3 (Normal Saline, placebo). Postoperative assessments on the 2nd and 7th days measured Trismus Grading, VAS, Wound Dehiscence, and AO. The results showed no significant difference in the occurrence of AO and Trismus grading between groups (p = 0.031 and 0.78, respectively), but wound dehiscence significantly differed (p = 0.013). While the VAS score on the 2nd day showed no significant difference, by the 7th day, chlorhexidine demonstrated better pain reduction than Aloe Vera. Although both mouthwashes were effective in reducing AO, chlorhexidine was more effective in reducing wound dehiscence and pain by the 7th day post-surgery.</p>","PeriodicalId":8962,"journal":{"name":"Bioinformation","volume":"20 9","pages":"993-997"},"PeriodicalIF":1.9,"publicationDate":"2024-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11795504/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143363584","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}
引用次数: 0
Effect of Cocos nucifera oil on tensile strength of two different tissue conditioners at different time intervals.
IF 1.9
Bioinformation Pub Date : 2024-09-30 eCollection Date: 2024-01-01 DOI: 10.6026/9732063002001191
Pushkar Gupta, Abhishek Pathak, Sneha S Mantri, Harsh Chansoria, Shivakshi Chansoria, Swati Solanki
{"title":"Effect of <i>Cocos nucifera oil</i> on tensile strength of two different tissue conditioners at different time intervals.","authors":"Pushkar Gupta, Abhishek Pathak, Sneha S Mantri, Harsh Chansoria, Shivakshi Chansoria, Swati Solanki","doi":"10.6026/9732063002001191","DOIUrl":"10.6026/9732063002001191","url":null,"abstract":"<p><p>Tissue conditioners are a short-term soft liner that is frequently used in dentistry to improve the condition of abused denture-bearing tissues, particularly in patients with denture stomatitis. Topical application of antifungal agent has multiple disadvantages which can be negated by incorporation of an herbal agent like <i>Cocos nucifera oil</i> into the tissue conditioner, which can enhance its mechanical properties like tensile strength, while aiding in reduction of <i>C.albicans</i> count in the oral cavity. Therefore, it is of interest to evaluate the tensile strength of Visco-gel and GC soft liner with and without 10% w/w <i>Cocos nucifera oil</i> on different time intervals. 32 dumb-belled shaped samples of each Visco-gel and GC soft liner were divided into two groups of 16 each (with and without 10% w/w Cocos nucifera oil). All the samples were stored in sterile glass jars with distilled water at 37°C. 4 samples from each group were tested for tensile strength on day 1, day 3, day 7 and day 14. Tensile strength test was performed on a Universal testing machine with computer control, data acquisition, and data analysis software. Incorporation of 10% w/w <i>Cocos nucifera oil</i> statistically increases the tensile strength of Visco-gel and GC soft liner, from day 1 to day 14, after immersion in distilled water.</p>","PeriodicalId":8962,"journal":{"name":"Bioinformation","volume":"20 9","pages":"1191-1195"},"PeriodicalIF":1.9,"publicationDate":"2024-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11795465/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143363329","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}
引用次数: 0
Molecular docking and dynamics analysis of flavonoids from Retama monosperma with drug-resistant GIST mutations.
IF 1.9
Bioinformation Pub Date : 2024-09-30 eCollection Date: 2024-01-01 DOI: 10.6026/973206300200966
Kaoutar El Khattabi, Jihane Akachar, Sanaa Lemriss, Rachid El Jaoudi, Fouad Zouaidia
{"title":"Molecular docking and dynamics analysis of flavonoids from Retama monosperma with drug-resistant GIST mutations.","authors":"Kaoutar El Khattabi, Jihane Akachar, Sanaa Lemriss, Rachid El Jaoudi, Fouad Zouaidia","doi":"10.6026/973206300200966","DOIUrl":"10.6026/973206300200966","url":null,"abstract":"<p><p>Gastrointestinal stromal tumors (GISTs), the most prevalent mesenchymal tumors of the gastrointestinal tract, are predominantly driven by activating mutations in receptor tyrosine kinases such as c-Kit and PDGFRα. Resistance to tyrosine kinase inhibitors (TKIs) poses a substantial therapeutic challenge, underscoring the need for novel treatments. Consequently, investigating the potential of natural compounds, specifically flavonoids from Retama monosperma, known for their diverse bioactivities, is of significant interest. Molecular docking and simulations revealed that Luteolin exhibited high binding affinities for PDGFRα (-8.1 kcal/mol) and c-KIT (-9.6 kcal/mol), comparable to Avapritinib and Sunitinib. The compound demonstrated favorable ADMET properties and formed notable hydrogen bonds and hydrophobic interactions with key residues in both targets. Molecular dynamic simulation over 100 ns revealed stable complexes with consistent RMSD and RMSF values. Additionally, Luteolin showed strong binding affinities to the resistant mutations c-Kit (D816H) and PDGFRα (T674I), with enhanced stability. These findings suggest that Luteolin has significant potential as a dual inhibitor and offers a promising alternative to conventional TKIs for addressing GIST resistance.</p>","PeriodicalId":8962,"journal":{"name":"Bioinformation","volume":"20 9","pages":"966-973"},"PeriodicalIF":1.9,"publicationDate":"2024-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11795491/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143363430","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}
引用次数: 0
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