يعرض 1 - 10 نتائج من 367 نتيجة بحث عن '"Molecular docking and dynamics"', وقت الاستعلام: 0.90s تنقيح النتائج
  1. 1
    مؤتمر
    Exploring Novel Anticancer Peptides: Evolutionary Prediction of Potential tRNA-Encoded Peptides for Targeted Therapies

    المؤلفون: Shanthappa, Pallavi M., Melethadathil, Nidheesh

    المصدر: 2024 International Conference on Intelligent and Innovative Technologies in Computing, Electrical and Electronics (IITCEE) Intelligent and Innovative Technologies in Computing, Electrical and Electronics (IITCEE), 2024 International Conference on. :1-6 Jan, 2024

    Relation: 2024 International Conference on Intelligent and Innovative Technologies in Computing, Electrical and Electronics (IITCEE)

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  2. 2
    دورية أكاديمية
    Computational discovery of AKT serine/threonine kinase 1 inhibitors through shape screening for rheumatoid arthritis intervention

    المؤلفون: Rangaswamy, Raghu, Sneha, Subramaniyan, Hemavathy, Nagarajan, Umashankar, Vetrivel, Jeyakanthan, JeyaramanAff1, IDs1103002410910z_cor5

    المصدر: Molecular Diversity. :1-17

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  3. 3
    دورية أكاديمية
    Identification of bio-active secondary metabolites from Actinobacteria as potential drug targets against Porphyromonas gingivalis in oral squamous cell carcinoma using molecular docking and dynamics study

    المؤلفون: Taj, Zarin, Chattopadhyay, IndranilAff1, IDs40203024002090_cor2

    المصدر: In Silico Pharmacology. 12(1)

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  4. 4
    دورية أكاديمية
    GC–MS analysis, pharmacokinetic properties, molecular docking and dynamics simulation of bioactives from Curcumis maderaspatanus to target oral cancer

    المؤلفون: Rao, Ronisha Shankar, Saravanan, Deepak, Mohan, MonishaAff2, IDs4020302300177x_cor3

    المصدر: In Silico Pharmacology. 12(1)

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  5. 5
    دورية أكاديمية
    Antioxidant and Antidiabetic Effects of Flemingia macrophylla Leaf Extract and Fractions: In vitro, Molecular Docking, Dynamic Simulation, Pharmacokinetics, and Biological Activity Studies

    المؤلفون: Kaniz Fatema, Ayesha Akter Sharmin, Jinat Fatema Sharna, Md. Anamul Haque, Mst. Mahfuza Rahman, Shahin Sarker, Mohsin Kazi, Md Rezaur Rahman, Murtala Namakka, Monir Uzzaman, Md Abdul Majed Patwary

    المصدر: BioResources, Vol 19, Iss 3, Pp 4960-4983 (2024)

    مصطلحات موضوعية: flemingia macrophylla, antioxidant and antidiabetic, molecular docking and dynamics, admet and pass prediction, Biotechnology, TP248.13-248.65

    وصف الملف: electronic resource

    Relation: https://ojs.bioresources.com/index.php/BRJ/article/view/23487; https://doaj.org/toc/1930-2126

    URL الوصول: https://doaj.org/article/98b972b8118b416a905685254222c394

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  6. 6
    دورية أكاديمية
    Pannorin isolated from marine Penicillium sp. SG-W3: a selective monoamine oxidase A inhibitor

    المؤلفون: Jong Min Oh, Qian Gao, Woong-Hee Shin, Eun-Young Lee, Dawoon Chung, Grace Choi, Sang-Jip Nam, Hoon Kim

    المصدر: Applied Biological Chemistry, Vol 67, Iss 1, Pp 1-12 (2024)

    مصطلحات موضوعية: Penicillium sp. SG-W3, Pannorin, Monoamine oxidase, Enzyme kinetics, Reversible competitive inhibitor, Molecular docking and dynamics, Agriculture (General), S1-972, Chemistry, QD1-999

    وصف الملف: electronic resource

    Relation: https://doaj.org/toc/2468-0842

    URL الوصول: https://doaj.org/article/d7f18b775b054623906d6221aae2ad70

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  7. 7
    دورية أكاديمية
    A Series of Novel 1-H-isoindole-1,3(2H)-dione Derivatives as Acetylcholinesterase and Butyrylcholinesterase Inhibitors: In Silico, Synthesis and In Vitro Studies

    المؤلفون: Edward Krzyżak, Aleksandra Marciniak, Dominika Szkatuła, Klaudia A. Jankowska, Natalia Dobies, Aleksandra Kotynia

    المصدر: Molecules, Vol 29, Iss 15, p 3528 (2024)

    مصطلحات موضوعية: isoindoline-1,3-dione, neurodegenerative diseases, acetylcholinesterase, butyrylcholinesterase, synthesis of phthalimide derivatives, molecular docking and dynamics, Organic chemistry, QD241-441

    وصف الملف: electronic resource

    Relation: https://www.mdpi.com/1420-3049/29/15/3528; https://doaj.org/toc/1420-3049

    URL الوصول: https://doaj.org/article/d86d9cf2122e49d2b0260b8f2a01cf4c

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  8. 8
    دورية أكاديمية
    Identification of dual-target isoxazolidine-isatin hybrids with antidiabetic potential: Design, synthesis, in vitro and multiscale molecular modeling approaches

    المؤلفون: Siwar Ghannay, Budur Saleh Aldhafeeri, Iqrar Ahmad, Abuzar E.A.E. Albadri, Harun Patel, Adel Kadri, Kaiss Aouadi

    المصدر: Heliyon, Vol 10, Iss 4, Pp e25911- (2024)

    مصطلحات موضوعية: Diabetes, Antidiabetic agents, Isoxazolidine-isatin hybrids, Kinetic study, Drug-likeness, Molecular docking and dynamics simulation, Science (General), Q1-390, Social sciences (General), H1-99

    وصف الملف: electronic resource

    Relation: http://www.sciencedirect.com/science/article/pii/S240584402401942X; https://doaj.org/toc/2405-8440

    URL الوصول: https://doaj.org/article/856612864df54719ab96211353e9e49d

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  9. 9
    دورية أكاديمية
    Quantum computational, spectroscopic, ADMET, molecular docking and dynamics simulation revealing the inhibition of psoralidin against anti-tuberculosis

    المؤلفون: N. Mani, D. Nicksonsebastin, M. Prasath

    المصدر: Chemical Physics Impact, Vol 7, Iss , Pp 100292- (2023)

    مصطلحات موضوعية: DFT, Spectroscopic imprints, Molecular docking and dynamics, Physics, QC1-999, Chemistry, QD1-999

    وصف الملف: electronic resource

    Relation: http://www.sciencedirect.com/science/article/pii/S2667022423001329; https://doaj.org/toc/2667-0224

    URL الوصول: https://doaj.org/article/788bc5b4d5c3432cb4315eb118418f2f

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  10. 10
    دورية أكاديمية
    Investigating the potential anticancer activities of antibiotics as topoisomerase II inhibitors and DNA intercalators: in vitro, molecular docking, molecular dynamics, and SAR studies

    المؤلفون: Faten Farouk, Ayman Abo Elmaaty, Ahmed Elkamhawy, Haytham O. Tawfik, Radwan Alnajjar, Mohammed A. S. Abourehab, Mohamed A. Saleh, Wagdy M. Eldehna, Ahmed A. Al‐Karmalawy

    المصدر: Journal of Enzyme Inhibition and Medicinal Chemistry, Vol 38, Iss 1 (2023)

    مصطلحات موضوعية: Antibiotics, cytotoxicity, topoisomerase II, molecular docking and dynamics, MM-GBSA, Therapeutics. Pharmacology, RM1-950

    وصف الملف: electronic resource

    Relation: https://doaj.org/toc/1475-6366; https://doaj.org/toc/1475-6374

    URL الوصول: https://doaj.org/article/a1c855bf5ade4c9380cb028408c47807

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