يعرض 1 - 20 نتائج من 114,198 نتيجة بحث عن '"MOLECULAR docking"', وقت الاستعلام: 0.71s تنقيح النتائج
  1. 1
    Academic Journal
    Chemical composition and antibacterial activity of the essential oils of Asphodelus microcarpus Salzm. & Viv. growing wild at different sites in Morocco: ADME-Tox, molecular docking and molecular dynamics simulations.

    المؤلفون: Benchama, Zakaria1,2 (AUTHOR) zakariabenchama.fsac@gmail.com, EL Ouaddari, Anass1,2 (AUTHOR), Yamari, Imane3 (AUTHOR), Mouzaki, Mustapha4 (AUTHOR), Guedmioui, Aouatif5 (AUTHOR), Mir, Youssef4 (AUTHOR), Chtita, Samir3 (AUTHOR), Jamal Eddine, Jamal1 (AUTHOR), EL Amrani, Abdelaziz1 (AUTHOR)

    المصدر: Journal of Essential Oil Research. Feb2025, Vol. 37 Issue 1, p20-36. 17p.

    مصطلحات موضوعية: MOLECULAR docking, ESSENTIAL oils, MOLECULAR dynamics, DRUG resistance in bacteria, ANTIBACTERIAL agents


    أضف إلى المفضلة
  2. 2
    Academic Journal
    The Interaction of AFB1 Aflatoxin and Lactococcin A; Molecular Docking.

    المؤلفون: Özgen, Arzu1 aozgen@gelisim.edu.tr, Ünlü, Nihan1 nunlu@gelisim.edu.tr, Canbay, Canan Aksu2 caksu@firat.edu.tr

    المصدر: Sakarya University Journal of Science (SAUJS) / Sakarya Üniversitesi Fen Bilimleri Enstitüsü Dergisi. Dec2024, Vol. 28 Issue 6, p1352-1359. 8p.

    مصطلحات موضوعية: MOLECULAR docking, PROTEIN structure, ANIMAL diseases, MYCOTOXINS, BACTERIOCINS, AFLATOXINS


    أضف إلى المفضلة
  3. 3
    Academic Journal
    Novel systems biology experimental pipeline reveals matairesinol's antimetastatic potential in prostate cancer: an integrated approach of network pharmacology, bioinformatics, and experimental validation.

    المؤلفون: Rajadnya, Rama1 (AUTHOR), Sharma, Nidhi1 (AUTHOR), Mahajan, Akanksha1 (AUTHOR), Ulhe, Amrita1 (AUTHOR), Patil, Rajesh2 (AUTHOR), Hegde, Mahabaleshwar3 (AUTHOR), Mali, Aniket1 (AUTHOR) aniket.mali@bharatividyapeeth.edu

    المصدر: Briefings in Bioinformatics. Sep2024, Vol. 25 Issue 5, p1-24. 24p.

    مصطلحات موضوعية: MOLECULAR docking, MOLECULAR dynamics, SYSTEMS biology, PROSTATE cancer, OVERALL survival

    Full Text Finder

    أضف إلى المفضلة
  4. 4
    Academic Journal
    A Joint Analysis of Metabolomics, Network Pharmacology, and Molecular Docking Reveals the Efficacy Patterns in Various Medicinal Segments of Angelica sinensis (Oliv.) Diels Root.

    المؤلفون: Guo, Xiaopeng1 (AUTHOR), Li, Xuee1 (AUTHOR), Zhang, Shengli1 (AUTHOR), Zhu, Shuhua1 (AUTHOR), Guo, Rong1 (AUTHOR), Gao, Yue2 (AUTHOR), Wang, Yonggang1 (AUTHOR) wangyg@lut.edu.cn, Liu, Xiaofeng1 (AUTHOR), Liu, Yan1 (AUTHOR), Shi, Hao1 (AUTHOR), Song, Jia-Le (AUTHOR)

    المصدر: Journal of Food Biochemistry. 8/16/2024, Vol. 2024, p1-24. 24p.

    مصطلحات موضوعية: DONG quai, MOLECULAR docking, CHINESE medicine, ARACHIDONIC acid, CELLULAR signal transduction

    Full Text Finder

    أضف إلى المفضلة
  5. 5
    Dissertation/ Thesis
    Studying the limits of protein-ligand docking to predict new non-covalent inhibitors for the SARSCoV-2 main protease

    المؤلفون: Macip Sancho, Guillem

    المساهمون: University/Department: Universitat Rovira i Virgili. Departament de Bioquímica i Biotecnologia

    Thesis Advisors: Garcia Vallve, Santiago, Pujadas Anguiano, Gerard

    المصدر: TDX (Tesis Doctorals en Xarxa)

    مصطلحات موضوعية: SARS-CoV-2, molecular docking, Ciències

    وصف الملف: application/pdf

    URL الوصول: http://hdl.handle.net/10803/688358

    View record in TDX

    أضف إلى المفضلة
  6. 6
    Academic Journal
    Synthesis, In Vitro , and In Silico Approach to Quinoline-Arylsulfonate Derivatives as Antimicrobial Agents: DFT, Molecular Docking, and ADMET Studies.

    المؤلفون: Samreen, Sabahat1 (AUTHOR), Khatoon, Shabana2 (AUTHOR), Javed, Saleem1 (AUTHOR), Raj, Nafis2 (AUTHOR), Manzoor, Nikhat2 (AUTHOR) nmanzoor@jmi.ac.in, Inam, Afreen1 (AUTHOR) ainam@jmi.ac.in

    المصدر: Synthesis. Feb2025, Vol. 57 Issue 4, p784-799. 16p.

    مصطلحات موضوعية: *MOLECULAR docking, *CANDIDA albicans, *DENSITY functional theory, *BINDING energy, *CHEMICAL synthesis


    أضف إلى المفضلة
  7. 7
    Academic Journal
    Mangiferin alleviates Quorum sensing regulated biofilm formation and virulence factor production in pathogenic bacteria: in vitro and in silico investigation.

    المؤلفون: Al-Shabib, Nasser A.1 (AUTHOR), Husain, Fohad Mabood1 (AUTHOR) fhusain@ksu.edu.sa, Ashraf, Naeem Mahmood2 (AUTHOR), Arshad, Mohammed3 (AUTHOR), Khan, Javed Masood1 (AUTHOR), Khan, Altaf4 (AUTHOR), Adil, Mohd5 (AUTHOR), Hassan, Iftekhar6 (AUTHOR)

    المصدر: Process Biochemistry. Feb2025, Vol. 149, p169-180. 12p.

    مصطلحات موضوعية: *QUORUM sensing, *MOLECULAR docking, *CELL communication, *MOLECULAR dynamics, *FOOD spoilage, *RHAMNOLIPIDS


    أضف إلى المفضلة
  8. 8
    Academic Journal
    Giardia duodenalis flavohemoglobin is a target of 5-nitroheterocycle and benzimidazole compounds acting as enzymatic inhibitors or subversive substrates.

    المؤلفون: Pech-Santiago, Edar Onam1 (AUTHOR), Argüello-García, Raúl1 (AUTHOR), Arce-Cruz, Guadalupe1 (AUTHOR), Angeles, Enrique2 (AUTHOR), Ortega-Pierres, Guadalupe1 (AUTHOR) gortega@cinvestav.mx

    المصدر: Free Radical Biology & Medicine. Feb2025, Vol. 227, p355-366. 12p.

    مصطلحات موضوعية: *MOLECULAR docking, *GIARDIASIS, *DRUG interactions, *DRUG design, *BIOCHEMICAL substrates, *SUPEROXIDES


    أضف إلى المفضلة
  9. 9
    Academic Journal
    Dietary supplements for prevention of Alzheimer's disease: In vivo and in silico molecular docking studies.

    المؤلفون: Mohamed, Doha Abdou1, Mohamed, Rasha Salah1, Fouda, Karem1, Mabrok, Hoda Bakr1 hoda.mabrok@gmail.com

    المصدر: Iranian Journal of Basic Medical Sciences. Feb2025, Vol. 28 Issue 2, p170-180. 11p.

    مصطلحات موضوعية: *MOLECULAR docking, *ROSMARINIC acid, *ALZHEIMER'S disease, *DIETARY supplements, *GENE expression, *ACETYLCHOLINESTERASE

    Full Text Finder

    أضف إلى المفضلة
  10. 10
    Academic Journal
    Synthesis, characterization, solvatochromic, and electrochemical investigation of novel 4-methyl coumarin fused azo dyes as an NLO material and their biological studies.

    المؤلفون: Y, Surendranaik.1 (AUTHOR), Venkatesh, Talavara1 (AUTHOR) venkateshatalwar@gmail.com, naik, Eresha2 (AUTHOR)

    المصدر: Structural Chemistry. Feb2025, Vol. 36 Issue 1, p171-190. 20p.

    مصطلحات موضوعية: *PHYSICAL & theoretical chemistry, *MOLECULAR docking, *NATURAL orbitals, *ESCHERICHIA coli, *DNA topoisomerase II


    أضف إلى المفضلة
  11. 11
    Academic Journal
    Investigation of synthesis, spectroscopic characterization, crystal structure, and computational studies of 3-(4-(dimethylamino)phenyl)-1,5-di(thiophen-2- yl)pentane-1,5-dione as potent against Cathepsin S.

    المؤلفون: Sharmoukh, Walid1 (AUTHOR), Ahsin, Atazaz2,3 (AUTHOR), Karthikeyan, Subramani4 (AUTHOR), Mohamed, Shaaban K.5,6 (AUTHOR) shaabankamel@yahoo.com, Marae, Islam S.2 (AUTHOR), Bakhite, Etify A.7 (AUTHOR), Soliman, Abdelhamid A. E.7 (AUTHOR), Gahtan, Maha G. M.7 (AUTHOR), Abuelizz, Hatem A.8 (AUTHOR), Al-Salahi, Rashad8 (AUTHOR), Mague, Joel T.9 (AUTHOR), El Bakri, Youness10 (AUTHOR) yns.elbakri@gmail.com

    المصدر: Journal of Sulfur Chemistry. Feb2025, Vol. 46 Issue 1, p55-79. 25p.

    مصطلحات موضوعية: *ATOMS in molecules theory, *MOLECULAR docking, *MOLECULAR dynamics, *INTERMOLECULAR interactions, *CRYSTAL structure


    أضف إلى المفضلة
  12. 12
    Academic Journal
    Synthesis, antiviral activity against wild-type SARS-CoV-2 and molecular docking studies of new aryl(1,2-dithiolo[3,4-c]quinolin-1-ylidene)amines.

    المؤلفون: Medvedeva, Svetlana1 (AUTHOR), Stolpovskaya, Nadezhda1 (AUTHOR), Sulimov, Alexey2 (AUTHOR), Ilin, Ivan2 (AUTHOR), Kutov, Danil2 (AUTHOR), Geronikaki, Athina3 (AUTHOR) geronik@pharm.auth.gr, Pyankov, Oleg4 (AUTHOR), Shcherbakov, Dmitriy4,5 (AUTHOR), Chirkova, Varvara5 (AUTHOR), Belenkaya, Svetlana4 (AUTHOR), Volosnikova, Ekaterina4 (AUTHOR), Sharlaeva, Elena5 (AUTHOR), Bondarenko, Ksenia1 (AUTHOR), Sulimov, Vladimir2 (AUTHOR), Shikhaliev, Khidmet1 (AUTHOR)

    المصدر: Journal of Sulfur Chemistry. Feb2025, Vol. 46 Issue 1, p35-54. 20p.

    مصطلحات موضوعية: *AROMATIC compounds, *MOLECULAR docking, *CYTOTOXINS, *PHARMACOPHORE, *DIGITAL libraries


    أضف إلى المفضلة
  13. 13
    Academic Journal
    Antioxidant and lipoxygenase inhibitory properties of a novel flavonoid from Pistacia chinensis Bunge and its molecular docking analysis.

    المؤلفون: Rauf, Abdur1 mashaljcs@yahoo.com, Akram, Zuneera2, Muhammad, Naveed3, AlMasoud, Najla4, Alomar, Taghrid Saad4, Naz, Saima5, Wadood, Abdul6, Hayat, Chandni6, Iriti, Marcello7,8 marcello.iriti@unimi.it

    المصدر: Traditional Medicine Research. Feb2025, Vol. 10 Issue 2, p1-7. 7p.

    مصطلحات موضوعية: *MOLECULAR docking, *VITAMIN C, *FLAVONOIDS, *PISTACIA, *ASTHMA


    أضف إلى المفضلة
  14. 14
    Academic Journal
    Characterization and kinetics of a cathepsin B-inhibiting protein from Musa acuminata Colla peel.

    المؤلفون: Rangra, Sabita1 (AUTHOR), Aggarwal, Kamal Krishan1 (AUTHOR) kkagg36@yahoo.com

    المصدر: Biochimie. Feb2025, Vol. 229, p141-150. 10p.

    مصطلحات موضوعية: *CATHEPSIN B, *MOLECULAR docking, *BINDING energy, *PROTEASE inhibitors, *BIOCHEMICAL substrates


    أضف إلى المفضلة
  15. 15
    Academic Journal
    Integrated in silico and in vitro exploration of the anti-VEGFR-2 activities of a semisynthetic xanthine alkaloid inhibiting breast cancer.

    المؤلفون: Elkaeed, Eslam B.1 (AUTHOR), Elkady, Hazem2 (AUTHOR) hazemelkady@azhar.edu.eg, Khattab, Ahmed M.2 (AUTHOR), Yousef, Reda G.2,3 (AUTHOR), Al-ghulikah, Hanan A.4 (AUTHOR), Husein, Dalal Z.5 (AUTHOR), Ibrahim, Ibrahim M.6 (AUTHOR), Elkady, Mohamed A.7 (AUTHOR), Metwaly, Ahmed M.8 (AUTHOR) hazemelkady@azhar.edu.eg, Eissa, Ibrahim H.2 (AUTHOR) ametwaly@azhar.edu.eg

    المصدر: PLoS ONE. 1/27/2025, Vol. 20 Issue 1, p1-29. 29p.

    مصطلحات موضوعية: *BREAST cancer, *MOLECULAR docking, *XANTHINE, *HEALING, *CELL lines

    Full Text Finder

    أضف إلى المفضلة
  16. 16
    Academic Journal
    Cellulase from Halomonas elongata for biofuel application: enzymatic characterization and inhibition tolerance investigation.

    المؤلفون: Narayanan, Aathimoolam1 (AUTHOR), Jeyaram, Kanimozhi1 (AUTHOR) kanimozhi.j@klu.ac.in, Prabhu, Ashish A.2 (AUTHOR), Krishnan, Sundar1 (AUTHOR), Kunjiappan, Selvaraj1 (AUTHOR), Baskaran, Nareshkumar3 (AUTHOR), Murugan, Dharanidharan1 (AUTHOR)

    المصدر: Preparative Biochemistry & Biotechnology. Jan2025, p1-18. 18p. 7 Illustrations.

    مصطلحات موضوعية: *RESPONSE surfaces (Statistics), *MOLECULAR docking, *COTTON textiles, *CLEAN energy, *HYDROXYMETHYLFURFURAL, *FURFURAL


    أضف إلى المفضلة
  17. 17
    Academic Journal
    A comprehensive survey of scoring functions for protein docking models.

    المؤلفون: Shirali, Azam1 (AUTHOR) ashir018@fiu.edu, Stebliankin, Vitalii1 (AUTHOR) vsteb002@fiu.edu, Karki, Ukesh2 (AUTHOR) ukarki@fiu.edu, Shi, Jimeng1 (AUTHOR) jshi008@fiu.edu, Chapagain, Prem2,3 (AUTHOR) chapagap@fiu.edu, Narasimhan, Giri1,3 (AUTHOR) giri@fiu.edu

    المصدر: BMC Bioinformatics. 1/22/2025, Vol. 26 Issue 1, p1-25. 25p.

    مصطلحات موضوعية: *SIGNAL recognition particle receptor, *MOLECULAR docking, *PROTEIN-protein interactions, *PROTEIN models, *MATHEMATICAL functions, *DEEP learning

    Full Text Finder

    أضف إلى المفضلة
  18. 18
    Academic Journal
    New Brusatol Derivatives as Anti-Settlement Agents Against Barnacles, Targeting HSP90: Design, Synthesis, Biological Evaluation, and Molecular Docking Investigations.

    المؤلفون: Jiang, Wang1,2,3 (AUTHOR) jiangwang@st.gxu.edu.cn, Luan, Tongtong3 (AUTHOR) caopeicib@hotmail.com, Cao, Pei3 (AUTHOR), Ma, Zhonghui1,2 (AUTHOR) mazhonghui@gxu.edu.cn, Su, Zhiwei1,2,3 (AUTHOR) suzhiwei@gxu.edu.cn

    المصدر: International Journal of Molecular Sciences. Jan2025, Vol. 26 Issue 2, p593. 24p.

    مصطلحات موضوعية: *MOLECULAR docking, *BINDING sites, *AMINO acid sequence, *BARNACLES, *BINDING energy

    Full Text Finder

    أضف إلى المفضلة
  19. 19
    Academic Journal
    Single-cell and bulk RNA sequencing analysis reveals CENPA as a potential biomarker and therapeutic target in cancers.

    المؤلفون: Liu, Hengrui1,2 (AUTHOR), Karsidag, Miray3 (AUTHOR), Chhatwal, Kunwer4 (AUTHOR), Wang, Panpan5 (AUTHOR) wangpp@jnu.edu.cn, Tang, Tao6 (AUTHOR) tangtao@sysucc.org.cn

    المصدر: PLoS ONE. 1/16/2025, Vol. 20 Issue 1, p1-24. 24p.

    مصطلحات موضوعية: *CELL cycle, *MOLECULAR docking, *CELL populations, *CHROMOSOME segregation, *GENE expression

    Full Text Finder

    أضف إلى المفضلة
  20. 20
    Academic Journal
    Fracture-healing effects of Rhizoma Musae ethanolic extract: An integrated study using UHPLC-Q-Exactive-MS/MS, network pharmacology, and molecular docking.

    المؤلفون: Zhang, Jian1 (AUTHOR) nkyzhangjian@163.com, Shen, Wanyan2 (AUTHOR), Liu, Fanzhi1 (AUTHOR), He, Hehe2 (AUTHOR), Han, Shuquan1 (AUTHOR), Luo, Lina1 (AUTHOR)

    المصدر: PLoS ONE. 1/14/2025, Vol. 20 Issue 1, p1-22. 22p.

    مصطلحات موضوعية: *MOLECULAR dynamics, *MOLECULAR docking, *PROTEIN-protein interactions, *PROTEIN-tyrosine kinase inhibitors, *BONE cells

    Full Text Finder

    أضف إلى المفضلة
أدوات البحث: أحصل على تغذية RSS – أرسل هذا البحث بالبريد الإلكتروني – حفظ البحث – جدول التنبيهات: لا شيء