المؤلفون: Chakraborty A; University Institute of Biotechnology, University Centre for Research & Development, Chandigarh University, Mohali, India., Ghosh R; School of Basic Sciences, Indian Institute of Technology Bhubaneswar, Bhubaneswar, India., Soumya Mohapatra S; School of Basic Sciences, Indian Institute of Technology Bhubaneswar, Bhubaneswar, India., Barik S; School of Basic Sciences, Indian Institute of Technology Bhubaneswar, Bhubaneswar, India., Biswas A; School of Basic Sciences, Indian Institute of Technology Bhubaneswar, Bhubaneswar, India. Electronic address: abiswas@iitbbs.ac.in., Chowdhuri S; School of Basic Sciences, Indian Institute of Technology Bhubaneswar, Bhubaneswar, India. Electronic address: snehasis@iitbbs.ac.in.

المصدر: Gene [Gene] 2024 Sep 05; Vol. 922, pp. 148553. Date of Electronic Publication: 2024 May 10.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Elsevier/North-Holland Country of Publication: Netherlands NLM ID: 7706761 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1879-0038 (Electronic) Linking ISSN: 03781119 NLM ISO Abbreviation: Gene Subsets: MEDLINE

مواضيع طبية MeSH: Drug Repositioning* , Molecular Docking Simulation* , COVID-19 Drug Treatment* , SARS-CoV-2*/drug effects , SARS-CoV-2*/enzymology , Coronavirus 3C Proteases*/antagonists & inhibitors , Coronavirus 3C Proteases*/metabolism , Coronavirus 3C Proteases*/chemistry , Molecular Dynamics Simulation*, Humans ; Antiviral Agents/pharmacology ; Antiviral Agents/chemistry ; Anti-Bacterial Agents/pharmacology ; Minocycline/pharmacology ; Rifampin/pharmacology ; COVID-19/virology ; Computer Simulation

المؤلفون: Ye J; Research Center for Intelligent Sensing Systems, Zhejiang Laboratory, Hangzhou, 311121, China., Fan M; Research Center for Intelligent Sensing Systems, Zhejiang Laboratory, Hangzhou, 311121, China., Zhan J; Research Center for New Materials Computation, Zhejiang Laboratory, Hangzhou, 311121, China., Zhang X; Research Center for Intelligent Sensing Systems, Zhejiang Laboratory, Hangzhou, 311121, China., Lu S; School of Materials Science and Engineering, Suzhou University of Science and Technology, Suzhou, 215009, China., Chai M; Research Center for Intelligent Sensing Systems, Zhejiang Laboratory, Hangzhou, 311121, China., Zhang Y; Research Center for Intelligent Sensing Systems, Zhejiang Laboratory, Hangzhou, 311121, China., Zhao X; Research Center for Intelligent Sensing Systems, Zhejiang Laboratory, Hangzhou, 311121, China; College of Materials and Environmental Engineering, Hangzhou Dianzi University, Hangzhou, 310018, China., Li S; Academy of Medical Engineering and Translational Medicine, Tianjin University, Tianjin, 300072, China., Zhang D; Research Center for Intelligent Sensing Systems, Zhejiang Laboratory, Hangzhou, 311121, China. Electronic address: zhangdm@zhejianglab.edu.cn.

المصدر: Talanta [Talanta] 2024 Sep 01; Vol. 277, pp. 126397. Date of Electronic Publication: 2024 Jun 11.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Elsevier Country of Publication: Netherlands NLM ID: 2984816R Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1873-3573 (Electronic) Linking ISSN: 00399140 NLM ISO Abbreviation: Talanta Subsets: MEDLINE

مواضيع طبية MeSH: Graphite*/chemistry , Biosensing Techniques*/methods , Nanotubes, Carbon*/chemistry , Molecular Docking Simulation* , Molecular Dynamics Simulation* , Fullerenes*/chemistry , Nanostructures*/chemistry, Proteins/chemistry ; Proteins/analysis ; Proteins/metabolism ; Adsorption ; Computer Simulation

المؤلفون: Bhattacharya S; Department of Agroecology and Crop Production, Faculty of Agrobiology, Food and Natural Resources, Czech University of Life Sciences Prague, Kamýcká 129, Prague 6, Suchdol, 165 00, Czech Republic., Dutta A; Department of Crop Sciences and Agroforestry, Faculty of Tropical AgriSciences, Czech University of Life Sciences Prague, Kamýcká 129, Suchdol, 165 00, Prague 6, Czech Republic., Khanra PK; Department of Biosciences and Bioengineering, Indian Institute of Technology Guwahati, Guwahati, 39, Assam, India., Gupta N; Department of Crop Sciences and Agroforestry, Faculty of Tropical AgriSciences, Czech University of Life Sciences Prague, Kamýcká 129, Suchdol, 165 00, Prague 6, Czech Republic., Dutta R; Environmental Biotechnology & Genomics Division, CSIR-National Environmental Engineering Research Institute (CSIR-NEERI), Nehru Marg, Nagpur, 440020, India., Tzvetkov NT; Department of Biochemical Pharmacology & Drug Design, Institute of Molecular Biology 'Roumen Tsanev', Bulgarian Academy of Sciences (BAS), Acad. G. Bonchev Str., Bl. 21, 1113, Sofia, Bulgaria., Milella L; Department of Science, University of Basilicata, Via Dell'Ateneo Lucano 10, 85100, Potenza, Italy. Electronic address: luigi.milella@unibas.it., Ponticelli M; Department of Biochemical Pharmacology & Drug Design, Institute of Molecular Biology 'Roumen Tsanev', Bulgarian Academy of Sciences (BAS), Acad. G. Bonchev Str., Bl. 21, 1113, Sofia, Bulgaria; Department of Science, University of Basilicata, Via Dell'Ateneo Lucano 10, 85100, Potenza, Italy.

المصدر: Computers in biology and medicine [Comput Biol Med] 2024 Sep; Vol. 179, pp. 108907. Date of Electronic Publication: 2024 Jul 20.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Elsevier Country of Publication: United States NLM ID: 1250250 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1879-0534 (Electronic) Linking ISSN: 00104825 NLM ISO Abbreviation: Comput Biol Med Subsets: MEDLINE

مواضيع طبية MeSH: Molecular Docking Simulation* , Anti-Bacterial Agents*/chemistry , Anti-Bacterial Agents*/pharmacology , Isothiocyanates*/chemistry , Isothiocyanates*/pharmacology, Moringa oleifera/chemistry ; Molecular Dynamics Simulation ; Drug Discovery ; Drug Resistance, Multiple, Bacterial/drug effects ; Staphylococcus aureus/drug effects ; Phytochemicals/chemistry ; Phytochemicals/pharmacology ; Bacterial Proteins/antagonists & inhibitors ; Bacterial Proteins/chemistry ; Bacterial Proteins/metabolism ; Methicillin-Resistant Staphylococcus aureus/drug effects ; Computer Simulation ; Humans

المؤلفون: Gruben D; College of Nursing, The University of North Texas Health Science Center, Fort Worth, Texas, USA. Electronic address: Darla.gruben@unthsc.edu., Wells-Beede E; College of Nursing, The University of North Texas Health Science Center, Fort Worth, Texas, USA.

المصدر: The Nursing clinics of North America [Nurs Clin North Am] 2024 Sep; Vol. 59 (3), pp. 401-414. Date of Electronic Publication: 2024 Feb 29.

نوع المنشور: Journal Article; Review

بيانات الدورية: Publisher: W B Saunders Country of Publication: United States NLM ID: 0042033 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1558-1357 (Electronic) Linking ISSN: 00296465 NLM ISO Abbreviation: Nurs Clin North Am Subsets: MEDLINE

مواضيع طبية MeSH: Clinical Competence*/standards , Simulation Training*/methods , Simulation Training*/standards, Humans ; Nursing Staff, Hospital/education ; Patient Simulation ; Patient Safety/standards

المؤلفون: Sahoo S; Department of Agricultural Convergence Technology, Jeonbuk National University, Jeonju, Jeollabuk-do, Republic of Korea., Samantaray M; Department of Bioinformatics, Pondicherry University, Puducherry, India., Jena M; Algal Biotechnology and Molecular Systematic Laboratory, Post Graduate Department of Botany, Berhampur University, Bhanja Bihar, Berhampur, India., Gosu V; Department of Animal Biotechnology, Jeonbuk National University, Jeonju, Jeollabuk-do, Republic of Korea., Bhuyan PP; Department of Botany, Maharaja Sriram Chandra Bhanja Deo University, Baripada, Odisha, India., Shin D; Department of Agricultural Convergence Technology, Jeonbuk National University, Jeonju, Jeollabuk-do, Republic of Korea., Pradhan B; Algal Biotechnology and Molecular Systematic Laboratory, Post Graduate Department of Botany, Berhampur University, Bhanja Bihar, Berhampur, India.; School of Biological Sciences, AIPH University, Bhubaneswar, Odisha, India.

المصدر: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2024 Sep; Vol. 42 (15), pp. 8089-8099. Date of Electronic Publication: 2023 Aug 10.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Taylor & Francis Country of Publication: England NLM ID: 8404176 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1538-0254 (Electronic) Linking ISSN: 07391102 NLM ISO Abbreviation: J Biomol Struct Dyn Subsets: MEDLINE

مواضيع طبية MeSH: Molecular Docking Simulation* , Hypoglycemic Agents*/pharmacology , Hypoglycemic Agents*/chemistry , Chlorella vulgaris*/chemistry , Pancreatic alpha-Amylases*/antagonists & inhibitors , Pancreatic alpha-Amylases*/metabolism , Plant Extracts*/pharmacology , Plant Extracts*/chemistry , Molecular Dynamics Simulation*, Humans ; Methanol/chemistry ; Enzyme Inhibitors/pharmacology ; Enzyme Inhibitors/chemistry ; Computer Simulation ; alpha-Amylases/antagonists & inhibitors ; alpha-Amylases/metabolism ; alpha-Amylases/chemistry ; Hydrogen Bonding ; Microalgae/chemistry

المؤلفون: Wang L; Jiangxi Provincial Key Laboratory of Drug Design and Evaluation, School of Pharmacy, Jiangxi Science & Technology Normal University, Nanchang, China., An Y; Jiangxi Provincial Key Laboratory of Drug Design and Evaluation, School of Pharmacy, Jiangxi Science & Technology Normal University, Nanchang, China., Wei X; Jiangxi Provincial Key Laboratory of Drug Design and Evaluation, School of Pharmacy, Jiangxi Science & Technology Normal University, Nanchang, China., Huang X; Jiangxi Provincial Key Laboratory of Drug Design and Evaluation, School of Pharmacy, Jiangxi Science & Technology Normal University, Nanchang, China., Tu Y; Cancer Research Center, Jiangxi University of Traditional Chinese Medicine, Nanchang, China., Qiao L; Jiangxi Provincial Key Laboratory of Drug Design and Evaluation, School of Pharmacy, Jiangxi Science & Technology Normal University, Nanchang, China., Zhu W; Jiangxi Provincial Key Laboratory of Drug Design and Evaluation, School of Pharmacy, Jiangxi Science & Technology Normal University, Nanchang, China.

المصدر: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2024 Sep; Vol. 42 (15), pp. 7686-7698. Date of Electronic Publication: 2023 Sep 10.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Taylor & Francis Country of Publication: England NLM ID: 8404176 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1538-0254 (Electronic) Linking ISSN: 07391102 NLM ISO Abbreviation: J Biomol Struct Dyn Subsets: MEDLINE

مواضيع طبية MeSH: Axl Receptor Tyrosine Kinase* , Receptor Protein-Tyrosine Kinases*/antagonists & inhibitors , Receptor Protein-Tyrosine Kinases*/chemistry , Receptor Protein-Tyrosine Kinases*/metabolism , Proto-Oncogene Proteins*/antagonists & inhibitors , Proto-Oncogene Proteins*/metabolism , Proto-Oncogene Proteins*/chemistry , Molecular Dynamics Simulation* , Antineoplastic Agents*/pharmacology , Antineoplastic Agents*/chemistry , Molecular Docking Simulation* , Protein Kinase Inhibitors*/pharmacology , Protein Kinase Inhibitors*/chemistry, Humans ; Hydrogen Bonding ; Protein Binding ; Computer Simulation ; Structure-Activity Relationship ; Binding Sites

المؤلفون: Islam MR; Department of Pharmacy, Faculty of Allied Health Sciences, Daffodil International University, Dhaka, Bangladesh., Tayyeb JZ; Department of Clinical Biochemistry, College of Medicine, University of Jeddah, Jeddah, Saudi Arabia., Paul HK; Department of Pharmacy, Jashore University of Science and Technology, Jashore, Bangladesh., Islam MN; Department of Pharmacy, University of Rajshahi, Rajshahi, Bangladesh., Oduselu GO; Covenant University Bioinformatics Research, Ota, Nigeria., Bayıl I; Department of bioinformatics and computational biology, Gaziantep University, Gaziantep, Turkey., Abdellattif MH; Department of Chemistry, Sciences College, University College of Taraba, Taif University, Taif, Saudi Arabia., Al-Ahmary KM; Department of Chemistry, College of Science, University of Jeddah, Jeddah, Saudi Arabia., Al-Mhyawi SR; Department of Chemistry, College of Science, University of Jeddah, Jeddah, Saudi Arabia., Zaki MEA; Department of Chemistry, College of Science, Imam Mohammad Ibn Saud Islamic University Riyadh, Riyadh, Saudi Arabia.

المصدر: Journal of cellular and molecular medicine [J Cell Mol Med] 2024 Aug; Vol. 28 (15), pp. e18584.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Wiley-Blackwell Country of Publication: England NLM ID: 101083777 Publication Model: Print Cited Medium: Internet ISSN: 1582-4934 (Electronic) Linking ISSN: 15821838 NLM ISO Abbreviation: J Cell Mol Med Subsets: MEDLINE

مواضيع طبية MeSH: Breast Neoplasms*/drug therapy , Breast Neoplasms*/enzymology , Breast Neoplasms*/pathology , Molecular Dynamics Simulation* , Molecular Docking Simulation*, Humans ; Female ; Enzyme Inhibitors/chemistry ; Enzyme Inhibitors/pharmacology ; Ligands ; Computer Simulation ; Protein Binding ; Tretinoin/metabolism ; Drug Design ; Antineoplastic Agents/pharmacology ; Antineoplastic Agents/chemistry ; 17-Hydroxysteroid Dehydrogenases/antagonists & inhibitors ; 17-Hydroxysteroid Dehydrogenases/metabolism ; 17-Hydroxysteroid Dehydrogenases/chemistry ; Hydrogen Bonding

المؤلفون: El Yaagoubi OM; Laboratory of Biochemistry, Environment and Agri-Food (URAC 36), Faculty of Sciences and Techniques-Mohammedia, Hassan II University of Casablanca, Morocco., Ezzemani W; Virology Unit, Viral Hepatitis Laboratory, Institut Pasteur du Maroc, Casablanca, Morocco.; Laboratoire de Biologie et Santé (URAC34), Département de Biologie, Faculté des Sciences Ben Msik, Hassan II University of Casablanca, Morocco., Oularbi L; Laboratory of Materials Membranes and Environment, Faculty of Sciences and Techniques-Mohammedia, Hassan II University of Casablanca, Morocco.; Supramolecular Nanomaterials Group (SNG), Mohammed VI Polytechnic University (UM6P), Lot 660, HayMoulayRachid, BenGuerir, Morocco., Samaki H; National Institute of Social Action (INAS), Tangier, Morocco., Aboudkhil S; Laboratory of Biochemistry, Environment and Agri-Food (URAC 36), Faculty of Sciences and Techniques-Mohammedia, Hassan II University of Casablanca, Morocco.

المصدر: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2024 Aug; Vol. 42 (12), pp. 6165-6173. Date of Electronic Publication: 2023 Jul 04.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Taylor & Francis Country of Publication: England NLM ID: 8404176 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1538-0254 (Electronic) Linking ISSN: 07391102 NLM ISO Abbreviation: J Biomol Struct Dyn Subsets: MEDLINE

مواضيع طبية MeSH: Molecular Docking Simulation* , Proteasome Inhibitors*/chemistry , Proteasome Inhibitors*/pharmacology , Proteasome Endopeptidase Complex*/chemistry , Proteasome Endopeptidase Complex*/metabolism , Molecular Dynamics Simulation*, Humans ; Ligands ; Protein Binding ; Structure-Activity Relationship ; Antineoplastic Agents/chemistry ; Antineoplastic Agents/pharmacology ; Binding Sites ; Computer Simulation

المؤلفون: Besli N; Department of Medical Biology, Hamidiye School of Medicine, University of Health Sciences, Istanbul, Turkey. Electronic address: beslinail@gmail.com., Ercin N; Department of Medical Biology, Hamidiye School of Medicine, University of Health Sciences, Istanbul, Turkey. Electronic address: nlfrbilgic@gmail.com., Carmena-Bargueño M; Structural Bioinformatics and High Performance Computing Research Group (BIO-HPC), Computer Engineering Department, UCAM Universidad Católica de Murcia, Guadalupe, Spain. Electronic address: mcarmena@alu.ucam.edu., Sarikamis B; Department of Medical Biology, Institute of Health Sciences, University of Health Sciences, Istanbul, Turkey. Electronic address: baharsarikamis@gmail.com., Kalkan Cakmak R; Department of Medical Biology, Hamidiye School of Medicine, University of Health Sciences, Istanbul, Turkey; Department of Medical Biology, Institute of Health Sciences, University of Health Sciences, Istanbul, Turkey. Electronic address: rabia.klkn@gmail.com., Yenmis G; Department of Medical Biology, Faculty of Medicine, Biruni University, Istanbul, Turkey. Electronic address: guven.yenmis@yahoo.com., Pérez-Sánchez H; Structural Bioinformatics and High Performance Computing Research Group (BIO-HPC), Computer Engineering Department, UCAM Universidad Católica de Murcia, Guadalupe, Spain. Electronic address: hperez@ucam.edu., Beker M; Department of Medical Biology, International School of Medicine, University of Health Sciences, Istanbul, Turkey. Electronic address: merve.beker@sbu.edu.tr., Kilic U; Department of Medical Biology, Hamidiye School of Medicine, University of Health Sciences, Istanbul, Turkey; Department of Medical Biology, Institute of Health Sciences, University of Health Sciences, Istanbul, Turkey. Electronic address: ulkan.kilic@sbu.edu.tr.

المصدر: Archives of biochemistry and biophysics [Arch Biochem Biophys] 2024 Aug; Vol. 758, pp. 110062. Date of Electronic Publication: 2024 Jun 14.

نوع المنشور: Journal Article; Comparative Study; Research Support, Non-U.S. Gov't

بيانات الدورية: Publisher: Elsevier Country of Publication: United States NLM ID: 0372430 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1096-0384 (Electronic) Linking ISSN: 00039861 NLM ISO Abbreviation: Arch Biochem Biophys Subsets: MEDLINE

مواضيع طبية MeSH: Cymenes*/pharmacology , Cymenes*/chemistry , Metformin*/pharmacology , Metformin*/chemistry , Molecular Docking Simulation* , Hypoglycemic Agents*/pharmacology , Hypoglycemic Agents*/chemistry , Hypoglycemic Agents*/therapeutic use , Molecular Dynamics Simulation* , Monoterpenes*/pharmacology , Monoterpenes*/chemistry, Humans ; Hyperglycemia/drug therapy ; Hyperglycemia/metabolism ; Receptor, Insulin/metabolism ; PPAR gamma/metabolism ; PPAR gamma/chemistry ; Protein Binding ; Computer Simulation ; Antigens, CD

المؤلفون: Mohite P; Dr. Rafiq Zakaria Campus, Y. B. Chavan College of Pharmacy, Aurangabad, 431001, Maharashtra, India., Lokwani DK; Department of Pharmaceutical Chemistry, Rajarshi Shahu College of Pharmacy, Buldana, Maharashtra, India., Sakle NS; Dr. Rafiq Zakaria Campus, Y. B. Chavan College of Pharmacy, Aurangabad, 431001, Maharashtra, India. nikhilsakle@gmail.com.

المصدر: Naunyn-Schmiedeberg's archives of pharmacology [Naunyn Schmiedebergs Arch Pharmacol] 2024 Aug; Vol. 397 (8), pp. 6107-6119. Date of Electronic Publication: 2024 Feb 28.

نوع المنشور: Journal Article

بيانات الدورية: Publisher: Springer Verlag Country of Publication: Germany NLM ID: 0326264 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1432-1912 (Electronic) Linking ISSN: 00281298 NLM ISO Abbreviation: Naunyn Schmiedebergs Arch Pharmacol Subsets: MEDLINE

مواضيع طبية MeSH: Sodium-Glucose Transporter 2 Inhibitors*/pharmacology , Molecular Docking Simulation* , Antineoplastic Agents*/pharmacology , Canagliflozin*/pharmacology , Canagliflozin*/therapeutic use , Benzhydryl Compounds*/pharmacology , Neoplasms*/drug therapy , Neoplasms*/pathology , Neoplasms*/metabolism, Humans ; Cell Line, Tumor ; Molecular Dynamics Simulation ; Glucosides/pharmacology ; Glucosides/therapeutic use ; Computer Simulation ; Cell Proliferation/drug effects ; Protein Interaction Maps ; Apoptosis/drug effects ; Cell Survival/drug effects ; Sodium-Glucose Transporter 2/metabolism