Pub Date : 2023-12-14DOI: 10.1080/07391102.2023.2293262
Münteha Girgin, Nigar Kantarci-Carsibasi
Alzheimer’s disease (AD) is a neurodegenerative disorder with a complex pathogenesis. One promising approach to treating AD is simultaneously targeting multiple aspects of the disease using a multi...
{"title":"Queuine as a potential multi-target drug for alzheimer’s disease: insights from protein dynamics","authors":"Münteha Girgin, Nigar Kantarci-Carsibasi","doi":"10.1080/07391102.2023.2293262","DOIUrl":"https://doi.org/10.1080/07391102.2023.2293262","url":null,"abstract":"Alzheimer’s disease (AD) is a neurodegenerative disorder with a complex pathogenesis. One promising approach to treating AD is simultaneously targeting multiple aspects of the disease using a multi...","PeriodicalId":15085,"journal":{"name":"Journal of Biomolecular Structure and Dynamics","volume":"86 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138680564","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}
Pub Date : 2023-12-14DOI: 10.1080/07391102.2023.2291543
Maithra Nagaraju, C. S. Karthik, M. K. Hema, B. S. Chethan, R. Jothi Ramalingam, Muthusamy Karnan, N. K. Lokanath
A novel mixed ligand Ni(II) metal complex has been investigated for the modification in structural conformation, coordination bond, and noncovalent interactions. The novel Ni(II) metal complex [Ni(...
{"title":"Perusal on the role of DMF solvent and hydrogen bonding in the formation of 1D polymeric chains in mixed ligand Ni(II) complex as an anticancer agent: a computational approach","authors":"Maithra Nagaraju, C. S. Karthik, M. K. Hema, B. S. Chethan, R. Jothi Ramalingam, Muthusamy Karnan, N. K. Lokanath","doi":"10.1080/07391102.2023.2291543","DOIUrl":"https://doi.org/10.1080/07391102.2023.2291543","url":null,"abstract":"A novel mixed ligand Ni(II) metal complex has been investigated for the modification in structural conformation, coordination bond, and noncovalent interactions. The novel Ni(II) metal complex [Ni(...","PeriodicalId":15085,"journal":{"name":"Journal of Biomolecular Structure and Dynamics","volume":"68 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138629088","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}
Male sexual dysfunction is considered one of the major consequences of diabetes mellitus. The medicinal plant, Mimosa pudica Linn. is believed to have numerous therapeutic effects, including anti-d...
{"title":"Mimosa pudica Linn. extract improves aphrodisiac performance in diabetes-induced male Wister rats","authors":"Chandrasekar Palanichamy, Damodar Nayak Ammunje, Parasuraman Pavadai, Sureshbabu Ram Kumar Pandian, Panneerselvam Theivendren, Shanmugampillai Jeyarajaguru Kabilan, Ewa Babkiewicz, Piotr Maszczyk, Selvaraj Kunjiappan","doi":"10.1080/07391102.2023.2292302","DOIUrl":"https://doi.org/10.1080/07391102.2023.2292302","url":null,"abstract":"Male sexual dysfunction is considered one of the major consequences of diabetes mellitus. The medicinal plant, Mimosa pudica Linn. is believed to have numerous therapeutic effects, including anti-d...","PeriodicalId":15085,"journal":{"name":"Journal of Biomolecular Structure and Dynamics","volume":"21 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138680687","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}
Pub Date : 2023-12-13DOI: 10.1080/07391102.2023.2291546
Uchechukwu C. Ogbodo, Sofela Salimat, Damilola S. Bodun, Toheeb A. Balogun, Damilola A. Omoboyowa
The global frequency of colorectal cancer motivates extensive drug discovery efforts. CDK2, a key member of the CDK family, has been linked to tumor progression, unregulated cell proliferation, and...
{"title":"Design of small molecules for CDK-2 inhibition in colorectal cancer based on substructure search","authors":"Uchechukwu C. Ogbodo, Sofela Salimat, Damilola S. Bodun, Toheeb A. Balogun, Damilola A. Omoboyowa","doi":"10.1080/07391102.2023.2291546","DOIUrl":"https://doi.org/10.1080/07391102.2023.2291546","url":null,"abstract":"The global frequency of colorectal cancer motivates extensive drug discovery efforts. CDK2, a key member of the CDK family, has been linked to tumor progression, unregulated cell proliferation, and...","PeriodicalId":15085,"journal":{"name":"Journal of Biomolecular Structure and Dynamics","volume":"30 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138629090","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}
Pub Date : 2023-12-13DOI: 10.1080/07391102.2023.2292291
Abdullah R. Alanzi, Mohammed F. Alajmi, Moneerah J. Alqahtani
Gonorrhoea is a sexually transmitted infection (STI) caused by the bacteria Neisseria gonorrhoeae. Gonorrhoea symptoms can vary, although roughly 50% of women and 10% of men infected with N. gonorr...
{"title":"Molecular docking and ADMET studies of halogenated metabolites from marine sponges as inhibitors of wild-type and mutants PBP2 in Neisseria gonorrhoeae","authors":"Abdullah R. Alanzi, Mohammed F. Alajmi, Moneerah J. Alqahtani","doi":"10.1080/07391102.2023.2292291","DOIUrl":"https://doi.org/10.1080/07391102.2023.2292291","url":null,"abstract":"Gonorrhoea is a sexually transmitted infection (STI) caused by the bacteria Neisseria gonorrhoeae. Gonorrhoea symptoms can vary, although roughly 50% of women and 10% of men infected with N. gonorr...","PeriodicalId":15085,"journal":{"name":"Journal of Biomolecular Structure and Dynamics","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138629077","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}
Curcumin, a biphenolic substance derived from turmeric (Curcuma longa), offers a number of health-beneficial effects, including anti-inflammatory, cardiovascular protection, anti-cancerous, and ant...
{"title":"Anti-inflammatory effect of curcumin in an accelerated senescence model of Wistar rat: an in vivo and in-silico study","authors":"Akanksha Singh, Unnati Soni, Pritish Kumar Varadwaj, Krishna Misra, Syed Ibrahim Rizvi","doi":"10.1080/07391102.2023.2291832","DOIUrl":"https://doi.org/10.1080/07391102.2023.2291832","url":null,"abstract":"Curcumin, a biphenolic substance derived from turmeric (Curcuma longa), offers a number of health-beneficial effects, including anti-inflammatory, cardiovascular protection, anti-cancerous, and ant...","PeriodicalId":15085,"journal":{"name":"Journal of Biomolecular Structure and Dynamics","volume":"28 8 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138629084","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}
Pub Date : 2023-12-13DOI: 10.1080/07391102.2023.2291547
Thien-Vy Phan, Lam-Truong Tuong, Vu-Thuy-Vy Nguyen, Cam-Van T. Vo, Thanh-Dao Tran, Minh-Tri Le, Bao Gia Dang Nguyen, Van-Thanh Tran, Thanh-Thao Vu, Khac-Minh Thai
Lichens produce secondary metabolites that have many pharmaceutical activities such as antimicrobial, antioxidant, antiviral, anticancer, antigenotoxic, anti-inflammatory, analgesic and antipyretic...
地衣产生的次生代谢物具有抗菌、抗氧化、抗病毒、抗癌、抗毒素、抗炎、镇痛、解热等多种药理活性。
{"title":"Computational assessment and in vitro test of phytochemicals of Usnea aciculifera as potential inhibitors of Escherichia coli efflux pump AcrB","authors":"Thien-Vy Phan, Lam-Truong Tuong, Vu-Thuy-Vy Nguyen, Cam-Van T. Vo, Thanh-Dao Tran, Minh-Tri Le, Bao Gia Dang Nguyen, Van-Thanh Tran, Thanh-Thao Vu, Khac-Minh Thai","doi":"10.1080/07391102.2023.2291547","DOIUrl":"https://doi.org/10.1080/07391102.2023.2291547","url":null,"abstract":"Lichens produce secondary metabolites that have many pharmaceutical activities such as antimicrobial, antioxidant, antiviral, anticancer, antigenotoxic, anti-inflammatory, analgesic and antipyretic...","PeriodicalId":15085,"journal":{"name":"Journal of Biomolecular Structure and Dynamics","volume":"3 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138629346","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}
Pub Date : 2023-12-13DOI: 10.1080/07391102.2023.2293276
Alexander M. Andrianov, Konstantin V. Furs, Anna V. Gonchar, Alena M. Skrahina, Yixin Wang, Liang-Dong Lyu, Alexander V. Tuzikov
The emergence of new Mycobacterium tuberculosis (Mtb) strains resistant to the key drugs currently used in the clinic for tuberculosis treatment can substantially reduce the probability of therapy ...
{"title":"Virtual screening and identification of promising therapeutic compounds against drug-resistant Mycobacterium tuberculosis β-ketoacyl-acyl carrier protein synthase I (KasA)","authors":"Alexander M. Andrianov, Konstantin V. Furs, Anna V. Gonchar, Alena M. Skrahina, Yixin Wang, Liang-Dong Lyu, Alexander V. Tuzikov","doi":"10.1080/07391102.2023.2293276","DOIUrl":"https://doi.org/10.1080/07391102.2023.2293276","url":null,"abstract":"The emergence of new Mycobacterium tuberculosis (Mtb) strains resistant to the key drugs currently used in the clinic for tuberculosis treatment can substantially reduce the probability of therapy ...","PeriodicalId":15085,"journal":{"name":"Journal of Biomolecular Structure and Dynamics","volume":"82 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138629353","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}
Omega-3 (n − 3) and omega-6 (n − 6) polyunsaturated fatty acids (PUFAs) are vital for human health, but an imbalance between these types is associated with chronic diseases, including cancer. Alpha...
{"title":"Decoding the therapeutic landscape of alpha-linolenic acid: a network pharmacology and bioinformatics investigation against cancer-related epigenetic modifiers","authors":"Amrita Ulhe, Nidhi Sharma, Akanksha Mahajan, Rajesh Patil, Mahabaleshwar Hegde, Supriya Bhalerao, Aniket Mali","doi":"10.1080/07391102.2023.2293267","DOIUrl":"https://doi.org/10.1080/07391102.2023.2293267","url":null,"abstract":"Omega-3 (n − 3) and omega-6 (n − 6) polyunsaturated fatty acids (PUFAs) are vital for human health, but an imbalance between these types is associated with chronic diseases, including cancer. Alpha...","PeriodicalId":15085,"journal":{"name":"Journal of Biomolecular Structure and Dynamics","volume":"2 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138680922","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}
Hemagglutinin (HA), a variable viral surface protein, is essential for influenza vaccine development. Annually, traditional trivalent vaccines containing influenza A/H1N1, A/H3N2 and B viruses are ...
{"title":"In silico design of a trivalent multi-epitope global-coverage vaccine-candidate protein against influenza viruses: evaluation by molecular dynamics and immune system simulation","authors":"Alireza Jalalvand, Fatemeh Fotouhi, Golnaz Bahramali, Bijan Bambai, Behrokh Farahmand","doi":"10.1080/07391102.2023.2292293","DOIUrl":"https://doi.org/10.1080/07391102.2023.2292293","url":null,"abstract":"Hemagglutinin (HA), a variable viral surface protein, is essential for influenza vaccine development. Annually, traditional trivalent vaccines containing influenza A/H1N1, A/H3N2 and B viruses are ...","PeriodicalId":15085,"journal":{"name":"Journal of Biomolecular Structure and Dynamics","volume":"55 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138629078","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}
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