Artigos de revistas sobre o tema "Reverse docking"
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Soto Zuluaga, Juan Pablo, Marcus Thiell e Rosa Colomé Perales. "Reverse cross-docking". Omega 66 (janeiro de 2017): 48–57. http://dx.doi.org/10.1016/j.omega.2016.01.010.
Texto completo da fonteListyani, Tiara Ajeng, e Rina Herowati. "Analisis Docking Molekuler Senyawa Derivat Phthalimide sebagai Inhibitor Non-Nukleosida HIV-1 Reverse Transcriptase". Jurnal Farmasi Indonesia 15, n.º 2 (1 de novembro de 2018): 123–34. http://dx.doi.org/10.31001/jfi.v15i2.445.
Texto completo da fonteSeal, Abhik, Riju Aykkal e Mriganka Ghosh Ghosh. "Docking study of HIV-1 reverse transcriptase with phytochemicals". Bioinformation 5, n.º 10 (15 de fevereiro de 2011): 430–39. http://dx.doi.org/10.6026/97320630005430.
Texto completo da fontePark, Kichul, e Art E. Cho. "Using reverse docking to identify potential targets for ginsenosides". Journal of Ginseng Research 41, n.º 4 (outubro de 2017): 534–39. http://dx.doi.org/10.1016/j.jgr.2016.10.005.
Texto completo da fonteDA SILVA, CARLOS H. T. P., IVONE CARVALHO e CARLTON A. TAFT. "MOLECULAR DYNAMICS, DOCKING, DENSITY FUNCTIONAL, AND ADMET STUDIES OF HIV-1 REVERSE TRANSCRIPTASE INHIBITORS". Journal of Theoretical and Computational Chemistry 05, n.º 03 (setembro de 2006): 579–86. http://dx.doi.org/10.1142/s0219633606002441.
Texto completo da fonteResti, Lady Ichwana, Herman Mawengkang e Elly Rosmaini. "Mathematical Model for Vehicle Routing and Scheduling with Forward and Reverse Logistics". Sinkron 8, n.º 3 (1 de julho de 2023): 1536–43. http://dx.doi.org/10.33395/sinkron.v8i3.12599.
Texto completo da fonteWang, Yan, Aidong Wang, Jianhua Wang, Xiaoran Wu, Yijie Sun e Yan Wu. "Me-Better Drug Design Based on Nevirapine and Mechanism of Molecular Interactions with Y188C Mutant HIV-1 Reverse Transcriptase". Molecules 27, n.º 21 (29 de outubro de 2022): 7348. http://dx.doi.org/10.3390/molecules27217348.
Texto completo da fonteByler, Kendall, e William Setzer. "Protein Targets of Frankincense: A Reverse Docking Analysis of Terpenoids from Boswellia Oleo-Gum Resins". Medicines 5, n.º 3 (31 de agosto de 2018): 96. http://dx.doi.org/10.3390/medicines5030096.
Texto completo da fonteRuswanto, Ruswanto, Richa Mardianingrum, Siswandono Siswandono e Dini Kesuma. "Reverse Docking, Molecular Docking, Absorption, Distribution, and Toxicity Prediction of Artemisinin as an Anti-diabetic Candidate". Molekul 15, n.º 2 (27 de julho de 2020): 88. http://dx.doi.org/10.20884/1.jm.2020.15.2.579.
Texto completo da fonteRiza, Hafrizal, Andhi Fahrurroji, Arif Wicaksono, Ahmad Kharis Nugroho e Sudibyo Martono. "DOCKING STUDY OF METHYL HESPERIDIN AS NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR". International Journal of Pharmacy and Pharmaceutical Sciences 10, n.º 3 (1 de março de 2018): 85. http://dx.doi.org/10.22159/ijpps.2018v10i3.22724.
Texto completo da fonte., T. B. Kakade. "Homology Modeling and Docking Studies on HIV Reverse Transcriptase Inhibitors". Journal of Current Pharma Research 3, n.º 3 (15 de maio de 2013): 965–82. http://dx.doi.org/10.33786/jcpr.2013.v03i03.010.
Texto completo da fonteSaleem, Mehmood, Mehar, Khan, Khan, Ashraf, Ali et al. "Bioassay Directed Isolation, Biological Evaluation and in Silico Studies of New Isolates from Pteris cretica L." Antioxidants 8, n.º 7 (19 de julho de 2019): 231. http://dx.doi.org/10.3390/antiox8070231.
Texto completo da fonteIksan, Muhamad, Frida M. Yusuf, Fitriani Fitriani B e Wa Ode Al Zarliani. "Antipyretic Drug Candidates Through Reverse Docking Techniques Used In Science Learning". Jurnal Penelitian Pendidikan IPA 9, n.º 8 (25 de agosto de 2023): 6398–405. http://dx.doi.org/10.29303/jppipa.v9i8.4863.
Texto completo da fonteTong, Jianbo, Shan Lei, Pei Zhan, Shangshang Qin e Yang Wang. "QSAR and Docking Studies of DATA Analogues as HIV-1 Reverse Transcriptase Inhibitors". Letters in Drug Design & Discovery 16, n.º 2 (29 de novembro de 2018): 153–59. http://dx.doi.org/10.2174/1570180815666180413152636.
Texto completo da fonteSavita, Mahendra Kumar, Neha Bora, Ruby Singh e Prachi Srivastava. "Screening of camphene as a potential inhibitor targeting SARS-CoV-2 various structural and functional mutants: Through reverse docking approach". Environmental Health Engineering and Management 10, n.º 2 (27 de maio de 2023): 123–29. http://dx.doi.org/10.34172/ehem.2023.14.
Texto completo da fonteDarme, Pierre, Manuel Dauchez, Arnaud Renard, Laurence Voutquenne-Nazabadioko, Dominique Aubert, Sandie Escotte-Binet, Jean-Hugues Renault, Isabelle Villena, Luiz-Angelo Steffenel e Stéphanie Baud. "AMIDE v2: High-Throughput Screening Based on AutoDock-GPU and Improved Workflow Leading to Better Performance and Reliability". International Journal of Molecular Sciences 22, n.º 14 (13 de julho de 2021): 7489. http://dx.doi.org/10.3390/ijms22147489.
Texto completo da fonteKotadiya, Manisha, e Ravi Ajudia. "In-silico Docking and ADME Studies of Natural Phytoconstituents from Different Medicinal Plants as Potential HIV Reverse Transcriptase Inhibitors". INTERNATIONAL JOURNAL OF PHARMACEUTICAL QUALITY ASSURANCE 15, n.º 01 (25 de março de 2024): 115–18. http://dx.doi.org/10.25258/ijpqa.15.1.18.
Texto completo da fonteKharkar, Prashant S., Sona Warrier e Ram S. Gaud. "Reverse docking: a powerful tool for drug repositioning and drug rescue". Future Medicinal Chemistry 6, n.º 3 (março de 2014): 333–42. http://dx.doi.org/10.4155/fmc.13.207.
Texto completo da fonteKawsar, Sarkar Mohammad Abe, Mohammed Anowar Hosen, Tasneem Sultana Chowdhury, Kazi Masud Rana, Yuki Fujii e Yasuhiro Ozeki. "Thermochemical, PASS, Molecular Docking, Drug-Likeness and In Silico ADMET Prediction of Cytidine Derivatives against HIV-1 Reverse Transcriptase". Revista de Chimie 72, n.º 3 (29 de julho de 2021): 159–78. http://dx.doi.org/10.37358/rc.21.3.8446.
Texto completo da fonteEarlia, Nanda, Muslem, Rivansyah Suhendra, Mohamad Amin, C. R. S. Prakoeswa, Khairan e Rinaldi Idroes. "GC/MS Analysis of Fatty Acids on Pliek U Oil and Its Pharmacological Study by Molecular Docking to Filaggrin as a Drug Candidate in Atopic Dermatitis Treatment". Scientific World Journal 2019 (3 de novembro de 2019): 1–7. http://dx.doi.org/10.1155/2019/8605743.
Texto completo da fonteAldholmi, Mohammed, Rizwan Ahmad, Mohammad Habeeb Shaikh, Ayad Mohammed Salem, Maher Alqurashi e Mansour Alturki. "Anti-Infective Activity of Momordica charantia Extract with Molecular Docking of Its Triterpenoid Glycosides". Antibiotics 13, n.º 6 (11 de junho de 2024): 544. http://dx.doi.org/10.3390/antibiotics13060544.
Texto completo da fonteHarriman, D. Joseph, e Ghislain Deslongchamps. "Reverse-docking as a computational tool for the study of asymmetric organocatalysis". Journal of Computer-Aided Molecular Design 18, n.º 5 (maio de 2004): 303–8. http://dx.doi.org/10.1023/b:jcam.0000047813.47656.36.
Texto completo da fonteZhang, Haiping, Jianbo Pan, Xuli Wu, Ai-Ren Zuo, Yanjie Wei e Zhi-Liang Ji. "Large-Scale Target Identification of Herbal Medicine Using a Reverse Docking Approach". ACS Omega 4, n.º 6 (4 de junho de 2019): 9710–19. http://dx.doi.org/10.1021/acsomega.9b00020.
Texto completo da fonteHarriman, D. Joseph, e Ghislain Deslongchamps. "Reverse-docking study of the TADDOL-catalyzed asymmetric hetero-Diels–Alder reaction". Journal of Molecular Modeling 12, n.º 6 (23 de fevereiro de 2006): 793–97. http://dx.doi.org/10.1007/s00894-006-0097-z.
Texto completo da fonteLee, Aeri, Kyoungyeul Lee e Dongsup Kim. "Using reverse docking for target identification and its applications for drug discovery". Expert Opinion on Drug Discovery 11, n.º 7 (junho de 2016): 707–15. http://dx.doi.org/10.1080/17460441.2016.1190706.
Texto completo da fonteChandra, Priyanka, Swastika Ganguly e Soikata Karmakar. "Comparative Studies of Various NNRTIs in the Active Site of Different HIV-1RT Receptors". Chemistry Proceedings 3, n.º 1 (14 de novembro de 2020): 33. http://dx.doi.org/10.3390/ecsoc-24-08313.
Texto completo da fonteK., Sony Jacob, e Swastika Ganguly. "A BATTLE AGAINST AIDS: NEW PYRAZOLE KEY TO AN OLDER LOCK-REVERSE TRANSCRIPTASE". International Journal of Pharmacy and Pharmaceutical Sciences 8, n.º 11 (28 de outubro de 2016): 75. http://dx.doi.org/10.22159/ijpps.2016v8i11.12634.
Texto completo da fonteTshering, Kipchu, e Mir Misbahuddin. "In silico prediction of telomerase reverse transcriptase inhibitors using modified retinol for the treatment of arsenical cancer". Bangabandhu Sheikh Mujib Medical University Journal 9, n.º 3 (21 de setembro de 2016): 164. http://dx.doi.org/10.3329/bsmmuj.v9i3.29650.
Texto completo da fonteWang, Junmei, Xinshan Kang, Irwin D. Kuntz e Peter A. Kollman. "Hierarchical Database Screenings for HIV-1 Reverse Transcriptase Using a Pharmacophore Model, Rigid Docking, Solvation Docking, and MM−PB/SA". Journal of Medicinal Chemistry 48, n.º 7 (abril de 2005): 2432–44. http://dx.doi.org/10.1021/jm049606e.
Texto completo da fonteNugraha, Rivo YB, Icha FD Faratisha, Kana Mardhiyyah, Dio G. Ariel, Fitria F. Putri, Nafisatuzzamrudah, Sri Winarsih, Teguh W. Sardjono e Loeki E. Fitri. "Antimalarial Properties of Isoquinoline Derivative from Streptomyces hygroscopicus subsp. Hygroscopicus: An In Silico Approach". BioMed Research International 2020 (9 de janeiro de 2020): 1–15. http://dx.doi.org/10.1155/2020/6135696.
Texto completo da fonteTien, Nguyen Truong, e Bui Tho Thanh. "Predicting binding modes and affinities for non-nucleoside inhibitors to HIV-1 reverse transcriptase using molecular docking". Science and Technology Development Journal - Natural Sciences 2, n.º 1 (6 de janeiro de 2019): 53–58. http://dx.doi.org/10.32508/stdjns.v2i1.674.
Texto completo da fonteKhan, Mahmood-ul-Hassan, Shahid Hameed, Muhammad Farman, Najim A. Al-Masoudi e Helen Stoeckli-Evans. "Synthesis, anti-HIV activity and molecular modeling study of 3-aryl-6-adamantylmethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole derivatives". Zeitschrift für Naturforschung B 70, n.º 8 (1 de agosto de 2015): 609–16. http://dx.doi.org/10.1515/znb-2015-0032.
Texto completo da fonteKonyar, Dilan, e Muhammed Tılahun Muhammed. "MOLECULAR DOCKING AND MOLECULAR DYNAMICS SIMULATIONS INHIBITION AGAINST OF HUMAN TELOMERASE BY NUCLEOSIDE AND NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS (NRTIs/NNRTIs)". Ankara Universitesi Eczacilik Fakultesi Dergisi 48, n.º 2 (17 de abril de 2024): 18. http://dx.doi.org/10.33483/jfpau.1444259.
Texto completo da fonteTarasova, Olga, Vladimir Poroikov e Alexander Veselovsky. "Molecular Docking Studies of HIV-1 Resistance to Reverse Transcriptase Inhibitors: Mini-Review". Molecules 23, n.º 5 (21 de maio de 2018): 1233. http://dx.doi.org/10.3390/molecules23051233.
Texto completo da fonteFan, Shengjun, Qiang Geng, Zhenyu Pan, Xin Li, Lu Tie, Yan Pan e Xuejun Li. "Clarifying off-target effects for torcetrapib using network pharmacology and reverse docking approach". BMC Systems Biology 6, n.º 1 (2012): 152. http://dx.doi.org/10.1186/1752-0509-6-152.
Texto completo da fonteBillones, Junie. "Reverse docking study unravels the potential Mycobacterium tuberculosis enzyme targets of Agelasine F". Oriental Journal of Chemistry 32, n.º 2 (25 de abril de 2016): 851–58. http://dx.doi.org/10.13005/ojc/320210.
Texto completo da fonteJoseph Harriman, D., Glen F. Deleavey, Andreas Lambropoulos e Ghislain Deslongchamps. "Reverse-docking study of the organocatalyzed asymmetric Strecker hydrocyanation of aldimines and ketimines". Tetrahedron 63, n.º 52 (dezembro de 2007): 13032–38. http://dx.doi.org/10.1016/j.tet.2007.10.009.
Texto completo da fonteRagno, Rino, Simona Frasca, Fabrizio Manetti, Antonella Brizzi e Silvio Massa. "HIV-Reverse Transcriptase Inhibition: Inclusion of Ligand-Induced Fit by Cross-Docking Studies". Journal of Medicinal Chemistry 48, n.º 1 (janeiro de 2005): 200–212. http://dx.doi.org/10.1021/jm0493921.
Texto completo da fonteKheirkhah, Amirsaman, e Saeid Rezaei. "Using cross-docking operations in a reverse logistics network design: a new approach". Production Engineering 10, n.º 2 (28 de novembro de 2015): 175–84. http://dx.doi.org/10.1007/s11740-015-0646-3.
Texto completo da fontePitta, Eleni, Evangelia Tsolaki, Athina Geronikaki, Jovana Petrović, Jasmina Glamočlija, Marina Soković, Emmanuele Crespan, Giovanni Maga, Shome S. Bhunia e Anil K. Saxena. "4-Thiazolidinone derivatives as potent antimicrobial agents: microwave-assisted synthesis, biological evaluation and docking studies". MedChemComm 6, n.º 2 (2015): 319–26. http://dx.doi.org/10.1039/c4md00399c.
Texto completo da fonteAlharbi, Ahmed. "Molecular docking based design of Inhibitors for viral Non-Nucleosidase as potential anti-retroviral agents". Bioinformation 16, n.º 10 (31 de outubro de 2020): 736–41. http://dx.doi.org/10.6026/97320630016736.
Texto completo da fonteGong, Chang, Zihao Liu, Qun Lin, Yu Shi, Qing Luo, Yinghuan Cen, Juanmei Li, Xiaolin Fang e Wenguo Jiang. "Anti-PITPNM3 small molecular compounds reverse breast cancer metastasis by targeting PITPNM3." Journal of Clinical Oncology 39, n.º 15_suppl (20 de maio de 2021): e15005-e15005. http://dx.doi.org/10.1200/jco.2021.39.15_suppl.e15005.
Texto completo da fonteChandra, Priyanka, Swastika Swastika e Manik Ghosh. "In Silico Studies of Piperazinyl-4-Nitroimidazole Derivatives in the Non-Nucleoside Inhibitory Binding Pocket of Human Immunodeficiency Virus-1-Reverse Transcriptase Enzyme". INDIAN JOURNAL OF HETEROCYCLIC CHEMISTRY 33, n.º 03 (30 de setembro de 2023): 293. http://dx.doi.org/10.59467/ijhc.2023.33.293.
Texto completo da fonteKrishnamoorthy, Praveen K. P., Sekar Subasree, Udhayachandran Arthi, Mohammad Mobashir, Chirag Gowda e Prasanna D. Revanasiddappa. "T-cell Epitope-based Vaccine Design for Nipah Virus by Reverse Vaccinology Approach". Combinatorial Chemistry & High Throughput Screening 23, n.º 8 (2 de novembro de 2020): 788–96. http://dx.doi.org/10.2174/1386207323666200427114343.
Texto completo da fonteRasyadan Taufiq Probojati, Ahmad Affan Ali Murtadlo, Md. Emdad Ullah, Sin War Naw e Dora Dayu Rahma Turista. "Molecular Docking Study of HIV-1 Antiretroviral Candidate via Reverse Transcriptase Inhibitor from Zingiber officinale var. Roscoe". SAINSTEK International Journal on Applied Science, Advanced Technology and Informatics 1, n.º 01 (9 de junho de 2022): 26–31. http://dx.doi.org/10.24036/sainstek/vol1-iss01/6.
Texto completo da fonteWang, Yueping, Jie Chang, Jiangyuan Wang, Peng Zhong, Yufang Zhang, Christopher Cong Lai e Yanping He. "3D-QSAR Studies of S-DABO Derivatives as Non-nucleoside HIV-1 Reverse Transcriptase Inhibitors". Letters in Drug Design & Discovery 16, n.º 8 (8 de agosto de 2019): 868–81. http://dx.doi.org/10.2174/1570180815666180810112321.
Texto completo da fonteMukherjee, Taniya, Isha Sangal, Biswajit Sarkar, Qais Almaamari e Tamer M. Alkadash. "How Effective Is Reverse Cross-Docking and Carbon Policies in Controlling Carbon Emission from the Fashion Industry?" Mathematics 11, n.º 13 (27 de junho de 2023): 2880. http://dx.doi.org/10.3390/math11132880.
Texto completo da fonteRotich, Winnie, Nicholas J. Sadgrove, Eduard Mas-Claret, Guillermo F. Padilla-González, Anastasia Guantai e Moses K. Langat. "HIV-1 Reverse Transcriptase Inhibition by Major Compounds in a Kenyan Multi-Herbal Composition (CareVid™): In Vitro and In Silico Contrast". Pharmaceuticals 14, n.º 10 (30 de setembro de 2021): 1009. http://dx.doi.org/10.3390/ph14101009.
Texto completo da fonteIslam, Sk Injamamul, Saloa Sanjida, Sheikh Sunzid Ahmed, Mazen Almehmadi, Mamdouh Allahyani, Abdulelah Aljuaid, Ahad Amer Alsaiari e Mustafa Halawi. "Core Proteomics and Immunoinformatic Approaches to Design a Multiepitope Reverse Vaccine Candidate against Chagas Disease". Vaccines 10, n.º 10 (7 de outubro de 2022): 1669. http://dx.doi.org/10.3390/vaccines10101669.
Texto completo da fonteSree Latha, Ramaswamy, Ramadoss Vijayaraj, Ettayapuram Ramaprasad Azhagiya Singam, Krishnaswamy Chitra e Venkatesan Subramanian. "3D-QSAR and Docking Studies on the HEPT Derivatives of HIV-1 Reverse Transcriptase". Chemical Biology & Drug Design 78, n.º 3 (29 de julho de 2011): 418–26. http://dx.doi.org/10.1111/j.1747-0285.2011.01162.x.
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