Journal of King Saud University - Science最新文献

{"title":"Processing and formulation technology of nutritional and functional food products by utilizing cheese and/or paneer whey: A critical review","authors":"Deepak Kumar Verma ,&nbsp;Ami R. Patel ,&nbsp;Soubhagya Tripathy ,&nbsp;Alok Kumar Gupta ,&nbsp;Smita Singh ,&nbsp;Nihir Shah ,&nbsp;Gemilang Lara Utama ,&nbsp;Mónica L. Chávez-González ,&nbsp;Koka Zongo ,&nbsp;Kolawole Banwo ,&nbsp;Alaa Kareem Niamah ,&nbsp;Cristobal Noe Aguilar","doi":"10.1016/j.jksus.2024.103508","DOIUrl":"10.1016/j.jksus.2024.103508","url":null,"abstract":"<div><div>Whey is an excellent source of proteins, with a high biological value and essential elements in addition to the proteins it contains. Additionally, it possesses a number of characteristics that are exclusive to it. Whey has been “rediscovered” in recent years and is now being used in a wider variety of food recipes as a result of the features discussed here in the present review paper. It’s possible that using whey instead of the “nutrient goldmine” will be more “economical.” Consumers who are educated on the role that whey plays in human nutrition and are aware of its significance are more likely to be interested in purchasing food products that include whey. Due to the nutritional and functional features that whey possesses, it has been included into a wide variety of food compositions, such as dairy-based products, biofunctional components, confectionary products, and beverages that are both refreshing and nutritious. In this review, several types of food products and beverages containing whey that have been produced so far by researchers from all over the world are described, along with their processing characteristics, sensory attributes, and commercial potential. Moreover, this paper delves into the potential applications of probiotic and functional whey-based products within the realms of biofunctional and therapeutic relevance.</div></div>","PeriodicalId":16205,"journal":{"name":"Journal of King Saud University - Science","volume":"36 11","pages":"Article 103508"},"PeriodicalIF":3.7,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142658749","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Role of Th1/Th2 cytokine balance in predicting treatment outcomes and disease severity in tuberculosis","authors":"Gopinath Ramalingam ,&nbsp;Javed Masood Khan ,&nbsp;Sharmila Jasmine ,&nbsp;Gowsalya Saminathan ,&nbsp;Elanchezhiyan Manickan ,&nbsp;Ponnulakhmi Rajagopal ,&nbsp;Vishnu Priya Veeraraghavan ,&nbsp;Selvaraj Jayaraman","doi":"10.1016/j.jksus.2024.103538","DOIUrl":"10.1016/j.jksus.2024.103538","url":null,"abstract":"<div><div>Tuberculosis (TB) is an age-old disease that remains a significant global public health issue. The protective response to Mycobacterium tuberculosis (MTB) is a complex and multifaceted process involving several components of the immune system, primarily driven by the cooperation between macrophages and T-cell populations. Various animal and human studies have well established the influential roles that cytokines and chemokines play in determining the outcome of MTB infection. The study focused on assessing the influence of Th1 and Th2 responses in tuberculosis by examining the current cytokine profiles in TB patients, emphasizing Th1 and Th2 cytokines, and comparing these profiles with those of patients undergoing treatment and a control group. Additionally, the relationship between cytokine status and the patients’ sex and age was assessed. The analysis of Th1/Th2 cytokines revealed a dichotomy between untreated and treated conditions. The results showed that untreated individuals suffered from a Th1 cytokine deficiency. However, this condition was reversed following the administration of anti-TB antibiotics, with patients who received these drugs showing a shift towards a protective Th1 cytokine profile. Cytokines play a decisive role in various infectious diseases, and this study confirms that TB is among them. The findings from this research could pave the way for novel diagnostic and therapeutic approaches in tuberculosis research.</div></div>","PeriodicalId":16205,"journal":{"name":"Journal of King Saud University - Science","volume":"36 11","pages":"Article 103538"},"PeriodicalIF":3.7,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142658831","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A parametrized approach to generalized fractional integral inequalities: Hermite–Hadamard and Maclaurin variants","authors":"Abdelghani Lakhdari ,&nbsp;Bandar Bin-Mohsin ,&nbsp;Fahd Jarad ,&nbsp;Hongyan Xu ,&nbsp;Badreddine Meftah","doi":"10.1016/j.jksus.2024.103523","DOIUrl":"10.1016/j.jksus.2024.103523","url":null,"abstract":"<div><div>This paper introduces a novel parametrized integral identity that forms the basis for deriving a comprehensive class of generalized fractional integral inequalities. Building on recent advancements in fractional calculus, particularly in conformable fractional integrals, our approach offers a unified framework for various known inequalities. The novelty of this work lies in its ability to generate new and more general inequalities, including Hermite–Hadamard-, Maclaurin-, and corrected Maclaurin-type inequalities, by selecting specific parameter values. These results extend the scope of fractional integral inequalities and provide new insights into their structure. To demonstrate the practical applicability and accuracy of the theoretical findings, we present a detailed numerical example along with graphical representations.</div></div>","PeriodicalId":16205,"journal":{"name":"Journal of King Saud University - Science","volume":"36 11","pages":"Article 103523"},"PeriodicalIF":3.7,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142700713","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Modulatory effects of glutamic acid on growth, photosynthetic pigments, and stress responses in olive plants subjected to cadmium stress","authors":"Muhammad Hamzah Saleem ,&nbsp;Sadia Zafar ,&nbsp;Sadia Javed ,&nbsp;Muhammad Anas ,&nbsp;Temoor Ahmed ,&nbsp;Shafaqat Ali ,&nbsp;Iman Mirmazloum ,&nbsp;Ajaz Ahmad","doi":"10.1016/j.jksus.2024.103540","DOIUrl":"10.1016/j.jksus.2024.103540","url":null,"abstract":"<div><div>Cadmium (Cd) is a toxic heavy metal that severely impacts plant growth and photosynthesis and induces oxidative stress. This study investigates the modulatory effects of glutamic acid (GA) on <em>Olea europaea</em> (olive) seedlings subjected to cadmium stress. The experiment included control, Cd-stressed, GA-treated, and combined Cd and GA-treated groups. Cd exposure significantly reduced plant growth, as evidenced by decreased root length (3.5 cm) and shoot length (9 cm) compared to control plants (5 cm and 12 cm, respectively). Additionally, Cd stress led to a reduction in chlorophyll content (16.2 mg/g fresh weight) and elevated oxidative markers like H₂O₂ and MDA. The application of GA significantly improved plant growth and physiological parameters, with statistically significant increases in root length (up to 6.5 cm) and shoot length (up to 14 cm) in the combined treatment group (<em>p</em> ≤ 0.05). Furthermore, GA treatment led to a marked elevation in total chlorophyll content (up to 27.5 mg/g fresh weight), compared to 16.2 mg/g in Cd-stressed plants (p ≤ 0.05), reflecting a significant improvement in photosynthetic efficiency. GA also elevated the antioxidant enzyme activity catalase (CAT) and peroxidase (POD), reducing oxidative stress by decreasing hydrogen peroxide and MDA levels. The findings suggest that glutamic acid effectively mitigates Cd-induced phytotoxicity, enhancing stress resistance and promoting plant growth. This research provides valuable insights into using glutamic acid as a possible approach to mitigate heavy metal stress in plants, offering implications for agriculture and environmental management in Cd-contaminated areas. Specific applications may include its use in phytoremediation practices or as a supplement in agricultural management to improve crop resilience in polluted environments. Further research could explore the molecular mechanisms underlying GA’s protective effects and its potential synergy with other biostimulants to enhance heavy metal tolerance in a broader range of crops.</div></div>","PeriodicalId":16205,"journal":{"name":"Journal of King Saud University - Science","volume":"36 11","pages":"Article 103540"},"PeriodicalIF":3.7,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142700810","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A new self-organization of complex networks structure generalized by a new class of fractional differential equations generated by 3D-gamma function","authors":"Ibtisam Aldawish ,&nbsp;Rabha W. Ibrahim","doi":"10.1016/j.jksus.2024.103512","DOIUrl":"10.1016/j.jksus.2024.103512","url":null,"abstract":"<div><div>In this note, we suggest a generalization of gamma function to be 3D-gamma function. As a consequence, some special functions are generalized including the Mittag–Leffler function. Moreover, we utilize the generalized Mittag–Leffler to extend the AB-fractional calculus. Examples are introduced to cover our theory. The solvability of abstract Riccati equation is considered, and Hyers–Ulam stability is discovered in the sequel. Based on the new study, we design new stable of Self-organization in complex networks (SOCNs).</div></div>","PeriodicalId":16205,"journal":{"name":"Journal of King Saud University - Science","volume":"36 11","pages":"Article 103512"},"PeriodicalIF":3.7,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142658916","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Facile bio-inspired fabrication of AgNPs from Salvia elegans leaf extract and determination of their cytotoxic DNA photocleavage potential","authors":"Mufarreh Asmari ,&nbsp;A.H. Shridhar ,&nbsp;Joy H. Hoskeri ,&nbsp;B. Vinay Kumar ,&nbsp;Nayef Abdulaziz Aldabaan ,&nbsp;Ibrahim Ahmed Shaikh ,&nbsp;Abdulaziz Hassan Alhasaniah ,&nbsp;Mater H. Mahnashi ,&nbsp;Arun Shettar ,&nbsp;Basheerahmed Abdulaziz Mannasaheb ,&nbsp;Aejaz Abdullatif Khan ,&nbsp;Amal Bahafi ,&nbsp;Uday M. Muddapur ,&nbsp;S.M.Shakeel Iqubal","doi":"10.1016/j.jksus.2024.103536","DOIUrl":"10.1016/j.jksus.2024.103536","url":null,"abstract":"<div><div>This study introduces a sustainable method for producing silver nanoparticles (AgNPs), focusing on sustainability and environmental protection. The technique includes the use of <em>Salvia elegans</em> aqueous leaf extract as a reducing agent. In addition, the research investigates the dose-dependent degradation of pUC19 DNA by silver nanoparticles, which is facilitated by the generation of singlet oxygen. The presence of <em>S. elegans</em> extract results in significant color changes, going from a colorless state to a dark brown hue, serving as an indication of the synthesis of AgNPs. A range of experimental methods were employed to analyze the biogenic AgNPs, such as UV–visible absorption spectroscopy, X-ray diffraction (XRD), transmission electron microscopy (TEM) and scanning electron microscopy (SEM). The meticulously produced AgNPs demonstrate a high level of uniformity, featuring a spherical shape and a particle size of 60 nm. DNA photo-cleavage studies show that singlet oxygen plays a crucial role in triggering DNA damage caused by AgNPs, indicating their potential as powerful cytotoxic agents specifically aimed at cancer cells. Additional studies are required to clarify the effectiveness and specificity of AgNPs against various cancer cell types to assess their therapeutic potential. The cytotoxic effects of AgNPs, particularly in relation to DNA photocleavage, are of considerable interest in cancer research. This research holds promise for developing novel and sustainable cancer therapies based on the unique properties of biogenic silver nanoparticles.</div></div>","PeriodicalId":16205,"journal":{"name":"Journal of King Saud University - Science","volume":"36 11","pages":"Article 103536"},"PeriodicalIF":3.7,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142658835","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Nanomedicine potential of Cymbopogon citratus Linn. –Biogenic synthesized silver nanoparticles: A study on antimicrobial and anticancer efficacy","authors":"Manikandan Ramasamy ,&nbsp;Ponmurugan Karuppiah ,&nbsp;Harini Ranganathan ,&nbsp;Sinouvassane Djearamane ,&nbsp;Ezhumalai Muthukrishnan ,&nbsp;Saminathan Kayarohanam ,&nbsp;Natarajan Arumugam ,&nbsp;Abdulrahaman I. Almansour ,&nbsp;Ling Shing Wong","doi":"10.1016/j.jksus.2024.103533","DOIUrl":"10.1016/j.jksus.2024.103533","url":null,"abstract":"<div><div>Green synthesis methods for making nanoparticles using plant extracts have gained considerable attention in recent years, particularly because of their potential applications in nanomedicine. Plant biosynthesized nanoparticles have shown noteworthy biomedical uses in comparison. The silver nanoparticle (AgNP) synthesized using extracts from the leaves and flowers of <em>Cymbopogon citratus Linn</em> was investigated for its antibacterial and anticancer properties. The biosynthesized AgNPs were characterized using UV–Vis, FTIR, DLS, EDX and SEM. The presence of alcohol, alkene, and phytochemicals in the AgNPs was confirmed using FTIR analysis. The investigation using SEM with EDX spectroscopy confirmed that the AgNPs were both pure and in the form of nanocrystals. Furthermore, AgNPs demonstrated significant antibacterial activity by efficiently suppressing bacterial growth. The biosynthesized AgNPs exhibited a concentration-dependent reduction in the lung cancer-A549 cell growth. The ethanolic extracts of <em>C. citratus</em> flower-synthesized AgNPs contain a wide range of phytochemical constituents. These components have been shown to effectively modulate antibacterial and anticancer activities, superior to<!--> <!-->the effects of leaf extracts synthesized AgNPs. Consequently, additional research is required to investigate the potential biomedical applications of these biosynthesized AgNPs.</div></div>","PeriodicalId":16205,"journal":{"name":"Journal of King Saud University - Science","volume":"36 11","pages":"Article 103533"},"PeriodicalIF":3.7,"publicationDate":"2024-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142658813","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Analysis of structural architecture in western Saudi Neom City area, northwestern Arabian Plate: Field investigation","authors":"Ali Y. Kahal,&nbsp;Essam Abd El-Motaal","doi":"10.1016/j.jksus.2024.103532","DOIUrl":"10.1016/j.jksus.2024.103532","url":null,"abstract":"<div><div>Saudi Neom City is being constructed as an urban mega-project in the northwestern part of the Arabian plate at the southeastern part of the NNE-oriented sinistral Dead Sea continental transform fault that links the NNW-oriented Red Sea Rift to the Zagros collision through the NE-oriented sinistral East Anatolian Fault. The present study aims to detect and analyze the different structural elements in the western Neom city. It also attempts to provide valuable data to help decision-makers for better achievement of such vital projects. From field investigation, the study area mainly comprises Neogene sedimentary sequence and exhibits a complex structural architecture represented by extensional- and wrench-style deformations. Different fault orientations (NNW–SSE striking extensional faults, WNW–ESE and ENE–WSW striking oblique-slip faults, and NNE–SSW and NNW–SSE striking strike-slip faults) dissect the western Neom area. Individual NNW-oriented Red Sea Rift-related extensional faults and fault blocks are antithetically tilted to the northeast. The sinistral movement onset along the Dead Sea Transform Fault postdates the Lower Miocene Burqan Formation deposition. Furthermore, the sinistral strike-slip regime of the western Neom area involves extensional structures, including normal faults, contractional structures (folds and reverse faults), and structures representing horizontal shear on near-vertical planes. NNW-oriented negative flower structures and forced folding occur along a synthetic NNW-oriented sinistral strike-slip fault set. Contractional structures are expressed by sets of NE-oriented left-handed en echelon-arranged folds in the Middle Miocene deposits. A proposed strain ellipse reveals these structures are associated with the NNE-oriented sinistral Dead Sea Transform Fault. The complexity of the structural architecture of the western Neom area can be attributed to its geologic setting under the influence of the Red Sea extensional rifting followed by the tectonic activity along the Dead Sea transform faulting. It is recommended that the structural attributes investigated, especially the geographic distribution of brittle structures (faults and fractures), be considered during the construction of Neom City.</div></div>","PeriodicalId":16205,"journal":{"name":"Journal of King Saud University - Science","volume":"36 11","pages":"Article 103532"},"PeriodicalIF":3.7,"publicationDate":"2024-11-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142658801","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Association between air pollutants particulate matter (PM2.5, PM10), nitrogen dioxide (NO2), sulfur dioxide (SO2), volatile organic compounds (VOCs), ground-level ozone (O3) and hypertension","authors":"Sultan Ayoub Meo ,&nbsp;Narmeen Shaikh ,&nbsp;Metib Alotaibi","doi":"10.1016/j.jksus.2024.103531","DOIUrl":"10.1016/j.jksus.2024.103531","url":null,"abstract":"<div><h3>Background</h3><div>Air pollution causes numerous debilitating diseases and premature deaths. This study explores the relationship between air pollutants particulate matter (PM_2.5, PM₁₀), nitrogen dioxide (NO₂), sulfur dioxide (SO₂), volatile organic compounds (VOC), ground-level ozone (O₃) and hypertension (HTN).</div></div><div><h3>Methods</h3><div>The air pollutants and hypertension data were recorded from the “Pub Med, Web of Science, Scopus, and Google Scholar.” We searched the data using the keywords on exposure (air pollutants) and outcome (hypertension). Primarily, 108 documents were selected, and after studying the summaries and complete articles, 28 studies were selected for analysis and discussion. The impact of air pollutants on hypertension was investigated through a compilation of 28 studies, from multiple countries, encompassing a total sample size of 2,540,441.</div></div><div><h3>Results</h3><div>Increased exposure to environmental pollutants PM_2.5 (OR = 1.05; 95 % CI:1.02, 1.08; p &lt; 0.01); PM₁₀ (OR = 1.25; 95 % CI: 1.04, 1.49; p = 0.02); NO₂ (OR = 1.12; 95 % CI: 1.01, 1.25; p = 0.04); SO₂ (OR = 1.17; 95 % CI:1.04, 1.31; p = 0.02); and VOCs (OR = 2.45;95 % CI:1.36, 4,41; p = 0.01) were significantly associated with increased incidence of HTN. However, O₃ exposure was positive but not significantly linked with an elevated risk of HTN (OR = 1.35; 95 % CI: 0.67, 2,72; p = 0.27).</div></div><div><h3>Conclusions</h3><div>Air pollutants PM_2.5, PM₁₀, NO₂, SO₂, and VOC positively and significantly enhanced the risk of hypertension. Environmental pollutants-reducing policies could be a dynamic planned approach to lessen cardiovascular risks in global populations. The strategies such as emission controls, promotion of clean energy sources, and transportation policies, that directly impact air pollution levels will have direct implications on cardiovascular health and decrease the overall occurrence of hypertension in the global population. Additionally, public health campaigns to promote cardiovascular health should incorporate education about the risk of air pollution exposure.</div></div>","PeriodicalId":16205,"journal":{"name":"Journal of King Saud University - Science","volume":"36 11","pages":"Article 103531"},"PeriodicalIF":3.7,"publicationDate":"2024-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142700807","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Anti-inflammatory and antioxidant activity, toxicity prediction, computational investigation, and molecular docking studies of 2-thiophenecarbonitrile","authors":"Vaithilingam Sasikala ,&nbsp;Vadivelu Balachandran ,&nbsp;Natarajan Elangovan ,&nbsp;Sinouvassane Djearamane ,&nbsp;Natarajan Arumugam ,&nbsp;Ling Shing Wong ,&nbsp;Saminathan Kayarohanam","doi":"10.1016/j.jksus.2024.103526","DOIUrl":"10.1016/j.jksus.2024.103526","url":null,"abstract":"<div><div>Density Functional Theory (DFT) and Molecular docking are pivotal computational techniques in modern chemistry and drug design. This work investigates the electronic structure and reactivity of 2-thiophenecarbonitrile (2TCN) with an emphasis on important factors such as HOMO-LUMO energy gap, MEP, Mulliken atomic charges, natural population analysis, and Mutiwfn (ELF, LOL, ALIE, and RDG) analysis. The MEP and FMO studies were calculated in various solvents like acetonitrile, water, gas, and methanol. The anti-inflammatory and antioxidant investigations revealed substantial activities by 2TCN. Additionally, molecular docking studies are performed to elucidate the binding interaction between the compound and target proteins, providing insights into its potential therapeutic mechanisms. The results demonstrate the binding energies, interaction residues, and the most favorable docking poses. This approach underscores the integration of theoretical and computational methods in advancing molecule design and therapeutic discovery.</div></div>","PeriodicalId":16205,"journal":{"name":"Journal of King Saud University - Science","volume":"36 11","pages":"Article 103526"},"PeriodicalIF":3.7,"publicationDate":"2024-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142658836","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"综合性期刊","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}