Research Journal of Biotechnology最新文献

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Qualitative and quantitative phytochemical composition and antimicrobial activity of different solvent extracts of Hardwickia binata Roxb. Hardwickia binata Roxb 不同溶剂提取物的定性和定量植物化学成分及抗菌活性。
IF 0.2
Research Journal of Biotechnology Pub Date : 2024-01-31 DOI: 10.25303/1903rjbt031038
Manimegalai Peraman, Selvam Kuppusamy
{"title":"Qualitative and quantitative phytochemical composition and antimicrobial activity of different solvent extracts of Hardwickia binata Roxb.","authors":"Manimegalai Peraman, Selvam Kuppusamy","doi":"10.25303/1903rjbt031038","DOIUrl":"https://doi.org/10.25303/1903rjbt031038","url":null,"abstract":"Hexane and ethyl acetate extracts were employed to carry out the research on the phytochemical and antibacterial activity of Hardwickia binata Roxb. To identify the components, present in the extract, the GC-MS technique was used for analysis. Functional groups of various extracts were identified using FTIR. The plant extract in hexane and ethyl acetate was evaluated for its ability to fight human pathogenic bacteria. The results of the phytochemical screening revealed that phenols, saponins, flavonoids, cardiac glycosides, steroids and tannins are present. The GC-MS data revealed that the ethyl acetate extract contained 25 bioactive substances. The extract of ethyl acetate showed good antimicrobial activity. S. aureus (16 mm) demonstrated the largest zone of inhibition when treated with 75 μg/mL of ethyl acetate extracts. As a result, this study provides data on the phytochemical constituents identified in both extracts. As a result, it may be employed in additional therapeutic applications in near future.","PeriodicalId":48695,"journal":{"name":"Research Journal of Biotechnology","volume":null,"pages":null},"PeriodicalIF":0.2,"publicationDate":"2024-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140472523","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A molecular docking study on inhibition of HMG CoA reductase with respect to phytochemicals of Terminalia cuneata Roth. 关于抑制 HMG CoA 还原酶与 Terminalia cuneata Roth 植物化学物质的分子对接研究。
IF 0.2
Research Journal of Biotechnology Pub Date : 2024-01-31 DOI: 10.25303/1903rjbt1080119
Rini Abraham
{"title":"A molecular docking study on inhibition of HMG CoA reductase with respect to phytochemicals of Terminalia cuneata Roth.","authors":"Rini Abraham","doi":"10.25303/1903rjbt1080119","DOIUrl":"https://doi.org/10.25303/1903rjbt1080119","url":null,"abstract":"Inhibition of cholesterol synthesis by targeting the enzyme hydroxyl methyl glutarate coenzyme reductase (HMGCR), a rate-limiting enzyme in the mevalonate pathway, has been identified as a promising approach. The most commonly employed drugs for the treatment of hyperlipidemia, statins, have been identified with some risk factors for muscle-related side effects. In this present study, an attempt is made to inhibit the HMG-CoA reductase enzyme using phytochemicals of Terminalia cuneata by in silico approach. The software AutoDock 4.2 was used for the docking study. We used atorvastatin and lovastatin as positive control. We also found the drug likeliness and bioactivity score of all inhibitors using the mol-inspiration prediction tool. We found that most of the compounds showed the best binding energy results against the targeted enzyme.","PeriodicalId":48695,"journal":{"name":"Research Journal of Biotechnology","volume":null,"pages":null},"PeriodicalIF":0.2,"publicationDate":"2024-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140471384","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Evaluation of neuroprotective effect and identification of active compounds from Nigella sativa Linn. through bioactive guided fractionation 通过生物活性引导分馏评估神经保护作用并鉴定芝麻中的活性化合物
IF 0.2
Research Journal of Biotechnology Pub Date : 2024-01-31 DOI: 10.25303/1903rjbt039047
S. Sudha, B. Chitra, Nisha S. Arif
{"title":"Evaluation of neuroprotective effect and identification of active compounds from Nigella sativa Linn. through bioactive guided fractionation","authors":"S. Sudha, B. Chitra, Nisha S. Arif","doi":"10.25303/1903rjbt039047","DOIUrl":"https://doi.org/10.25303/1903rjbt039047","url":null,"abstract":"The medicinal herb Nigella sativa Linn of the Ranunculaceae family is widely used everywhere in the world. In the past, numerous illnesses and disorders have been treated with N. sativa L. seeds. Both in vivo and in vitro analyses revealed that N. sativa L., possesses numerous neuroprotective effects. The methanolic extract of N. sativa L. was evaluated for the presence of antioxidant and anticholinesterase activity and the findings revealed that the extract has outstanding antioxidant and anticholinesterase activity. Since the extract was found to possess excellent activity, the methanolic extract was separated using column chromatography with the aid of bioactive guided fractionation. A total of 19 fractions were collected and analyzed for antioxidant potential. The active fractions were collected, pooled and analyzed using LC-MS techniques. The outcomes revealed the existence of Kaempferol 3-(2-galloyl-alpha-L-arabinopyranoside). To assess the safety aspects of methanolic extract, a subacute toxicity test was performed using zebrafish. The results of the liver function test and histoarchitecture analysis found that there were no adverse consequences from the extract. Altogether, these results suggest that N. sativa L., could be a promising therapeutic drug against Alzheimer’s disease.","PeriodicalId":48695,"journal":{"name":"Research Journal of Biotechnology","volume":null,"pages":null},"PeriodicalIF":0.2,"publicationDate":"2024-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140471847","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Time series forecasting cancers cases in Algeria using double exponential smoothing method 使用双指数平滑法对阿尔及利亚癌症病例进行时间序列预测
IF 0.2
Research Journal of Biotechnology Pub Date : 2024-01-31 DOI: 10.25303/1903rjbt01012
Talbi Melissa, Adjebli Ahmed, Tighilet Karim, Louardiane Mustapha, Messis Abdelaziz
{"title":"Time series forecasting cancers cases in Algeria using double exponential smoothing method","authors":"Talbi Melissa, Adjebli Ahmed, Tighilet Karim, Louardiane Mustapha, Messis Abdelaziz","doi":"10.25303/1903rjbt01012","DOIUrl":"https://doi.org/10.25303/1903rjbt01012","url":null,"abstract":"Cancers are the second cause of death worldwide. Prevalence and incidence of cancers are getting increased by aging and population growth. This study aims to predict and model the evolution of breast, colorectal, lung, bladder and prostate cancers over the period of 2014-2019. In this study, data were analyzed using time series analysis with double exponential smoothing method to forecast the future pattern. To describe and fit the appropriate models, Minitab statistical software version 17 was used. Between 2014 and 2019, the overall trend in the raw number of new cancer cases registered has been increasing over time; the change in observations over time has been increasing. Our forecast model is validated since we have good prediction for the period 2020 and data are not available for 2021 and 2022. Time series analysis showed that the double exponential smoothing is an efficient tool to model the future data on the raw number of new cancer cases.","PeriodicalId":48695,"journal":{"name":"Research Journal of Biotechnology","volume":null,"pages":null},"PeriodicalIF":0.2,"publicationDate":"2024-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140474479","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
In silico molecular docking studies of 2, 4 and 2, 6-di-tert-butylphenol against NAGK and SPP1 proteins to recuperate rheumatoid arthritis 2、4 和 2、6-二叔丁基苯酚与 NAGK 和 SPP1 蛋白的分子对接研究,以治疗类风湿性关节炎
IF 0.2
Research Journal of Biotechnology Pub Date : 2023-11-05 DOI: 10.25303/1812rjbt043047
S. Singh, T. Qidwai
{"title":"In silico molecular docking studies of 2, 4 and 2, 6-di-tert-butylphenol against NAGK and SPP1 proteins to recuperate rheumatoid arthritis","authors":"S. Singh, T. Qidwai","doi":"10.25303/1812rjbt043047","DOIUrl":"https://doi.org/10.25303/1812rjbt043047","url":null,"abstract":"Rheumatoid arthritis (RA) is a chronic autoimmune disorder that primarily affects the synovial joints. It is connected to progressive disability, early death and socioeconomic burdens. So, there is an urgent need to develop novel drugs that effectively treat patients at each stage of disease progression. N-acetylglucosamine kinase (NAGK) and secreted phosphoprotein 1(SPP1) are two attractive drug targets for RA. NAGK protein converts endogenous N-acetyl-D-glucosamine (GlcNAc) into GlcNAc 6-phosphate. GlcNAc has suppressive effects on experimental RA in mouse models. SPP1 stimulates the synthesis of a key proinflammatory cytokine implicated in the pathogenesis of RA. In order to design new drug candidates, crystal structure of human NAGK (PDB Id: 2CH5) was retrieved from the protein data bank. Amino acid sequence of SPP1 (Uniprot Id: P10451) was retrieved from uniprot database and modeled by the Phyre2 server. Computed SPP1 model energy was minimized using the YASARA energy minimization server and validated by the Ramachandran plot and the ProSA-web error-detection tool. 2, 4-Di-tert-butylphenol and 2, 6-Di-Tert-butylphenol are known compound isolates from bark extract of Schleichera oleosa having anti-arthritic and anti-inflammatory activities as accessed by PASS online server. These compounds were docked against active site of NAGK and SPP1 proteins using MTiAutoDock server. The binding affinity of these compounds against NAGK and SPP1 proteins ranges from -6.12 to -7.17 kcal/mol. The findings of this study will open the way for the development of herbal remedies for rheumatoid arthritis based on the Schleichera oleosa plant, potentially leading to the development of novel drugs.","PeriodicalId":48695,"journal":{"name":"Research Journal of Biotechnology","volume":null,"pages":null},"PeriodicalIF":0.2,"publicationDate":"2023-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139289287","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Free amino acid profiling and quantification of 4-hydroxyisoleucine in Trigonella foenum-graecum (fenugreek) seeds treated with Trichoderma viride and rhizobium 用病毒毛霉和根瘤菌处理的葫芦巴种子中的游离氨基酸谱分析和 4-羟基异亮氨酸的定量分析
IF 0.2
Research Journal of Biotechnology Pub Date : 2023-11-05 DOI: 10.25303/1812rjbt014042
Haritha Addala, Lalitha Pappu
{"title":"Free amino acid profiling and quantification of 4-hydroxyisoleucine in Trigonella foenum-graecum (fenugreek) seeds treated with Trichoderma viride and rhizobium","authors":"Haritha Addala, Lalitha Pappu","doi":"10.25303/1812rjbt014042","DOIUrl":"https://doi.org/10.25303/1812rjbt014042","url":null,"abstract":"Fenugreek is a legume but regarded as a poor nitrogen fixer. The present study deals with the marked effect of Trichoderma viride and rhizobium on quantification of 4-hydroxyisoleucine content and free amino acid composition of fenugreek seeds. 4-hydroxyisoleucine is regarded as an antidiabetic compound present specifically in fenugreek plants. Fenugreek seeds treated with both T.viride and rhizobium boosted free amino acid concentration and 4-hydroxyisoleucine content compared to control and positive control (NPK treated). Seeds were treated with T.viride suspension (107 spores/seed), rhizobium suspension (108 cells/seed) , combination of T.viride and rhizobium suspension in equal amounts (0.5ml of T.viride  0.5ml of rhizobium suspension /seed), NPK suspension ( 1ml NPK suspension / seed) and untreated seeds (1 ml distilled water/ seed) serving as control sown in pots filled with potting soil and also in a randomized plot ( 55 feet) in the field. In free amino acid composition, isoleucine is the precursor for 4-hydroxyisoleucine compound and its concentration was enhanced by 47.79 % (potted plants) and 26.46 % (field plants) over control and by 27.02 % (potted plants) and 13.03 % (field plants) over positive control. 4-hydroxyisoleucine content was quantified using LCMS method in both potted and field plants. An increase of 37.02 % (potted plants) and 23.61 % (field plants) in 4-hydroxyisoleucine concentration in dual treated plants over control and positive control was observed.","PeriodicalId":48695,"journal":{"name":"Research Journal of Biotechnology","volume":null,"pages":null},"PeriodicalIF":0.2,"publicationDate":"2023-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139289077","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Facile Preparation and Characterization of Alginate and Triton X-100 Zinc Phosphate modified Surface Nanocrystals as a Novel Anti-corrosive and Antibacterial agent 藻酸盐和 Triton X-100 磷酸锌修饰表面纳米晶体作为新型抗腐蚀和抗菌剂的简便制备与表征
IF 0.2
Research Journal of Biotechnology Pub Date : 2023-11-05 DOI: 10.25303/1812rjbt910101
Arezoo Mohammadkhani, Sadjadi Mirabdullah Seyed, N. Farhadyar, F. Mohammadkhani
{"title":"Facile Preparation and Characterization of Alginate and Triton X-100 Zinc Phosphate modified Surface Nanocrystals as a Novel Anti-corrosive and Antibacterial agent","authors":"Arezoo Mohammadkhani, Sadjadi Mirabdullah Seyed, N. Farhadyar, F. Mohammadkhani","doi":"10.25303/1812rjbt910101","DOIUrl":"https://doi.org/10.25303/1812rjbt910101","url":null,"abstract":"In this study, two surface-modified antibacterial and anti-corrosive nanoparticles (ZnP-T, ZnP-ALG) were synthesized by facile and efficient one-step ultrasonic synthesis method. Nanocrystals were characterized by X-ray Diffraction (XRD), Fourier Transform Infrared (FT-IR), Energy Dispersive X-Ray Analysis (EDX), Scanning Electron Microscopy (SEM) and Transmission electron microscopy (TEM). The TEM image showed that the product had good dispersion with a particle size of 10-23, 15–32 nm respectively. Antibacterial and cytocompatibility properties were studied by agar diffusion, in vitro viability and cytotoxicity assay (MTT) and colony-forming-unit (CFU). Antibacterial rate of the ZnP-T and ZnP-ALG nanoparticles reached near 100% and cell viability was near 100%. The corrosion resistance of ZnP-T and ZnP-ALG was evaluated by the electrochemical impedance spectroscopy (EIS) approach. Nyquist diagrams demonstrated that the ZnP-ALG sample had better protection than the ZnP-T sample at all immersion time . The frequency phase angle of the ZnP-ALG sample (θ10 kHz) has a greater value compared with the ZnP-T case.","PeriodicalId":48695,"journal":{"name":"Research Journal of Biotechnology","volume":null,"pages":null},"PeriodicalIF":0.2,"publicationDate":"2023-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139288743","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Calotropis procera leaf extract against paracetamol induced hepatotoxicity in Rats by regulating JNK/ASK-1 Signaling Pathway 石菖蒲叶提取物通过调节 JNK/ASK-1 信号通路对抗扑热息痛诱导的大鼠肝毒性
IF 0.2
Research Journal of Biotechnology Pub Date : 2023-11-05 DOI: 10.25303/1812rjbt1220129
K. K. Agrawal, Y. Murti
{"title":"Calotropis procera leaf extract against paracetamol induced hepatotoxicity in Rats by regulating JNK/ASK-1 Signaling Pathway","authors":"K. K. Agrawal, Y. Murti","doi":"10.25303/1812rjbt1220129","DOIUrl":"https://doi.org/10.25303/1812rjbt1220129","url":null,"abstract":"The goal of the study was to assess the hepatoprotective efficacy of young Calotropis procera leaves. The young leaves of Calotropis procera were extracted by cold maceration with ultra-sonication using chloroform, ethyl acetate and distilled water. Male Wistar rats were used for hepatoprotective evaluation and the body weight, liver weight, serum biomarkers and anti-oxidant markers were measured during study. The extract/fractions significantly (P<0.05) increased the absolute and relative weight of the liver of rats at the dose of 200 mg/kg. It also suppressed the serum biomarkers (P<0.05) in the aforementioned doses. Oral administration of extract/fractions significantly increase the oxidative marker and decreased the progression of paracetamol induced hepatotoxicity. The result of the study suggested that Calotropis procera leaf extract/fractions can reduce hepatotoxicity caused by paracetamol.","PeriodicalId":48695,"journal":{"name":"Research Journal of Biotechnology","volume":null,"pages":null},"PeriodicalIF":0.2,"publicationDate":"2023-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139289152","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Antioxidant and Antibacterial activity of Lotus tea in Thua Thien Hue province from Vietnam 越南顺化省莲花茶的抗氧化和抗菌活性
IF 0.2
Research Journal of Biotechnology Pub Date : 2023-11-05 DOI: 10.25303/1812rjbt048054
N. T. Q. Trang, Ngo Quy Thao Ngoc, Dang Thanh Long, Pham Thanh
{"title":"Antioxidant and Antibacterial activity of Lotus tea in Thua Thien Hue province from Vietnam","authors":"N. T. Q. Trang, Ngo Quy Thao Ngoc, Dang Thanh Long, Pham Thanh","doi":"10.25303/1812rjbt048054","DOIUrl":"https://doi.org/10.25303/1812rjbt048054","url":null,"abstract":"In this study, we determined the antioxidant and antibacterial activity in different types of lotus tea (Nelumbo nucifera Gaernt.) in Thua Thien Hue province, Vietnam. The results showed that in four types of lotus tea, the catalase enzyme activity was 0.92-1.35 U/mg protein, the peroxidase enzyme activity was 0.97-2.67 U/mg protein, ascorbic acid content was 0.088-0.135%, the IC50 value was 4.98-6.03 mg/mL and all four kinds of lotus tea inhibited bacteria to a variable extent with low sensitivity. The inhibition zone’s mean diameter increased from 0.23 cm to 0.77 cm. The flower lotus tea gave the highest results on most of the research criteria and the lowest was lotus rhizome tea. From obtained results, tea produced from lotus plants grown in Thua Thien Hue province, Vietnam has a high potential for antioxidant and antibacterial properties.","PeriodicalId":48695,"journal":{"name":"Research Journal of Biotechnology","volume":null,"pages":null},"PeriodicalIF":0.2,"publicationDate":"2023-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139289182","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The repurposing of FDA-approved drugs to stop viral replication in COVID-19 treatment: a comprehensive molecular docking and dynamics analysis 在 COVID-19 治疗中重新利用 FDA 批准的药物阻止病毒复制:分子对接和动力学综合分析
IF 0.2
Research Journal of Biotechnology Pub Date : 2023-11-05 DOI: 10.25303/1812rjbt055066
Dammalli Manjunath, S.G. Bhavya, Murthy K. R. Shadakshara, S. Rajashekhara, B.E. Rangaswamy
{"title":"The repurposing of FDA-approved drugs to stop viral replication in COVID-19 treatment: a comprehensive molecular docking and dynamics analysis","authors":"Dammalli Manjunath, S.G. Bhavya, Murthy K. R. Shadakshara, S. Rajashekhara, B.E. Rangaswamy","doi":"10.25303/1812rjbt055066","DOIUrl":"https://doi.org/10.25303/1812rjbt055066","url":null,"abstract":"Amidst a public health crisis such as the SARS-CoV-2 induced COVID-19 pandemic, the urgency to develop and provide access to novel drugs becomes paramount. In these scenarios, repurposing existing drugs emerges as an appealing strategy due to their established safety profiles and prior regulatory approvals, potentially streamlining their adoption for new therapeutic purposes. There has been a notable interest in investigating the repurposing potential of FDA-approved drugs to combat the disease triggered by the SARS-CoV-2 virus. This investigation was conducted with the objective of identifying FDA-approved antiviral drugs that could target both the original and mutant forms of the SARS-CoV-2 RNA-dependent RNA polymerase (RdRp) protein, given the escalating prevalence of SARS-CoV-2 mutations that undermined vaccine efficacy and underscored the need for alternative treatment avenues. Despite ongoing clinical trials, the selection of drugs specifically designed to combat SARS-CoV-2 remains limited. The present study aimed to assess the inhibitory potential of eight approved antiviral drugs. The wild-type and mutant (P323L) RdRp protein (PDB ID: 7BV2). By utilizing molecular docking techniques, the selected drugs were evaluated based on their binding affinities with both the mutant and wild-type RdRp protein. Subsequently, the protein-ligand complexes exhibiting the highest binding affinities were subjected to a 150 ns molecular dynamics simulation to evaluate their stability. The outcomes of the molecular docking analysis pinpointed Dolutegravir and Beclabuvir as possessing the most robust binding affinities for both mutant and wild-type RdRp systems. These findings prompted the selection of these drugs for an in-depth molecular dynamic simulation (MDS) investigation. The comprehensive analysis of Root Mean Square Deviation (RMSD), Root Mean Square Fluctuation (RMSF), Radius of Gyration (Rg), Solvent Accessible Surface Area (SASA) and Secondary Structure Dynamics confirmed that Dolutegravir and Beclabuvir are potent inhibitors of the NSP12 protein. Collectively, the computational assessments put forth two potential contenders: Dolutegravir and Beclabuvir as promising inhibitors against both the wild-type and mutant RdRp proteins. To further validate these drug candidates, rigorous in vitro and in vivo investigations are warranted which could eventually position them as valuable therapeutic agents in the fight against COVID-19.","PeriodicalId":48695,"journal":{"name":"Research Journal of Biotechnology","volume":null,"pages":null},"PeriodicalIF":0.2,"publicationDate":"2023-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139289228","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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