Journal articles on the topic 'Reverse docking'
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Soto Zuluaga, Juan Pablo, Marcus Thiell, and Rosa Colomé Perales. "Reverse cross-docking." Omega 66 (January 2017): 48–57. http://dx.doi.org/10.1016/j.omega.2016.01.010.
Listyani, Tiara Ajeng, and Rina Herowati. "Analisis Docking Molekuler Senyawa Derivat Phthalimide sebagai Inhibitor Non-Nukleosida HIV-1 Reverse Transcriptase." Jurnal Farmasi Indonesia 15, no. 2 (November 1, 2018): 123–34. http://dx.doi.org/10.31001/jfi.v15i2.445.
Seal, Abhik, Riju Aykkal, and Mriganka Ghosh Ghosh. "Docking study of HIV-1 reverse transcriptase with phytochemicals." Bioinformation 5, no. 10 (February 15, 2011): 430–39. http://dx.doi.org/10.6026/97320630005430.
Park, Kichul, and Art E. Cho. "Using reverse docking to identify potential targets for ginsenosides." Journal of Ginseng Research 41, no. 4 (October 2017): 534–39. http://dx.doi.org/10.1016/j.jgr.2016.10.005.
DA SILVA, CARLOS H. T. P., IVONE CARVALHO, and CARLTON A. TAFT. "MOLECULAR DYNAMICS, DOCKING, DENSITY FUNCTIONAL, AND ADMET STUDIES OF HIV-1 REVERSE TRANSCRIPTASE INHIBITORS." Journal of Theoretical and Computational Chemistry 05, no. 03 (September 2006): 579–86. http://dx.doi.org/10.1142/s0219633606002441.
Resti, Lady Ichwana, Herman Mawengkang, and Elly Rosmaini. "Mathematical Model for Vehicle Routing and Scheduling with Forward and Reverse Logistics." Sinkron 8, no. 3 (July 1, 2023): 1536–43. http://dx.doi.org/10.33395/sinkron.v8i3.12599.
Wang, Yan, Aidong Wang, Jianhua Wang, Xiaoran Wu, Yijie Sun, and Yan Wu. "Me-Better Drug Design Based on Nevirapine and Mechanism of Molecular Interactions with Y188C Mutant HIV-1 Reverse Transcriptase." Molecules 27, no. 21 (October 29, 2022): 7348. http://dx.doi.org/10.3390/molecules27217348.
Byler, Kendall, and William Setzer. "Protein Targets of Frankincense: A Reverse Docking Analysis of Terpenoids from Boswellia Oleo-Gum Resins." Medicines 5, no. 3 (August 31, 2018): 96. http://dx.doi.org/10.3390/medicines5030096.
Ruswanto, Ruswanto, Richa Mardianingrum, Siswandono Siswandono, and Dini Kesuma. "Reverse Docking, Molecular Docking, Absorption, Distribution, and Toxicity Prediction of Artemisinin as an Anti-diabetic Candidate." Molekul 15, no. 2 (July 27, 2020): 88. http://dx.doi.org/10.20884/1.jm.2020.15.2.579.
Riza, Hafrizal, Andhi Fahrurroji, Arif Wicaksono, Ahmad Kharis Nugroho, and Sudibyo Martono. "DOCKING STUDY OF METHYL HESPERIDIN AS NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR." International Journal of Pharmacy and Pharmaceutical Sciences 10, no. 3 (March 1, 2018): 85. http://dx.doi.org/10.22159/ijpps.2018v10i3.22724.
., T. B. Kakade. "Homology Modeling and Docking Studies on HIV Reverse Transcriptase Inhibitors." Journal of Current Pharma Research 3, no. 3 (May 15, 2013): 965–82. http://dx.doi.org/10.33786/jcpr.2013.v03i03.010.
Saleem, 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, no. 7 (July 19, 2019): 231. http://dx.doi.org/10.3390/antiox8070231.
Iksan, Muhamad, Frida M. Yusuf, Fitriani Fitriani B, and Wa Ode Al Zarliani. "Antipyretic Drug Candidates Through Reverse Docking Techniques Used In Science Learning." Jurnal Penelitian Pendidikan IPA 9, no. 8 (August 25, 2023): 6398–405. http://dx.doi.org/10.29303/jppipa.v9i8.4863.
Tong, Jianbo, Shan Lei, Pei Zhan, Shangshang Qin, and Yang Wang. "QSAR and Docking Studies of DATA Analogues as HIV-1 Reverse Transcriptase Inhibitors." Letters in Drug Design & Discovery 16, no. 2 (November 29, 2018): 153–59. http://dx.doi.org/10.2174/1570180815666180413152636.
Savita, Mahendra Kumar, Neha Bora, Ruby Singh, and 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, no. 2 (May 27, 2023): 123–29. http://dx.doi.org/10.34172/ehem.2023.14.
Darme, Pierre, Manuel Dauchez, Arnaud Renard, Laurence Voutquenne-Nazabadioko, Dominique Aubert, Sandie Escotte-Binet, Jean-Hugues Renault, Isabelle Villena, Luiz-Angelo Steffenel, and 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, no. 14 (July 13, 2021): 7489. http://dx.doi.org/10.3390/ijms22147489.
Kotadiya, Manisha, and 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, no. 01 (March 25, 2024): 115–18. http://dx.doi.org/10.25258/ijpqa.15.1.18.
Kharkar, Prashant S., Sona Warrier, and Ram S. Gaud. "Reverse docking: a powerful tool for drug repositioning and drug rescue." Future Medicinal Chemistry 6, no. 3 (March 2014): 333–42. http://dx.doi.org/10.4155/fmc.13.207.
Kawsar, Sarkar Mohammad Abe, Mohammed Anowar Hosen, Tasneem Sultana Chowdhury, Kazi Masud Rana, Yuki Fujii, and 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, no. 3 (July 29, 2021): 159–78. http://dx.doi.org/10.37358/rc.21.3.8446.
Earlia, Nanda, Muslem, Rivansyah Suhendra, Mohamad Amin, C. R. S. Prakoeswa, Khairan, and 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 (November 3, 2019): 1–7. http://dx.doi.org/10.1155/2019/8605743.
Aldholmi, Mohammed, Rizwan Ahmad, Mohammad Habeeb Shaikh, Ayad Mohammed Salem, Maher Alqurashi, and Mansour Alturki. "Anti-Infective Activity of Momordica charantia Extract with Molecular Docking of Its Triterpenoid Glycosides." Antibiotics 13, no. 6 (June 11, 2024): 544. http://dx.doi.org/10.3390/antibiotics13060544.
Harriman, D. Joseph, and Ghislain Deslongchamps. "Reverse-docking as a computational tool for the study of asymmetric organocatalysis." Journal of Computer-Aided Molecular Design 18, no. 5 (May 2004): 303–8. http://dx.doi.org/10.1023/b:jcam.0000047813.47656.36.
Zhang, Haiping, Jianbo Pan, Xuli Wu, Ai-Ren Zuo, Yanjie Wei, and Zhi-Liang Ji. "Large-Scale Target Identification of Herbal Medicine Using a Reverse Docking Approach." ACS Omega 4, no. 6 (June 4, 2019): 9710–19. http://dx.doi.org/10.1021/acsomega.9b00020.
Harriman, D. Joseph, and Ghislain Deslongchamps. "Reverse-docking study of the TADDOL-catalyzed asymmetric hetero-Diels–Alder reaction." Journal of Molecular Modeling 12, no. 6 (February 23, 2006): 793–97. http://dx.doi.org/10.1007/s00894-006-0097-z.
Lee, Aeri, Kyoungyeul Lee, and Dongsup Kim. "Using reverse docking for target identification and its applications for drug discovery." Expert Opinion on Drug Discovery 11, no. 7 (June 2016): 707–15. http://dx.doi.org/10.1080/17460441.2016.1190706.
Chandra, Priyanka, Swastika Ganguly, and Soikata Karmakar. "Comparative Studies of Various NNRTIs in the Active Site of Different HIV-1RT Receptors." Chemistry Proceedings 3, no. 1 (November 14, 2020): 33. http://dx.doi.org/10.3390/ecsoc-24-08313.
K., Sony Jacob, and Swastika Ganguly. "A BATTLE AGAINST AIDS: NEW PYRAZOLE KEY TO AN OLDER LOCK-REVERSE TRANSCRIPTASE." International Journal of Pharmacy and Pharmaceutical Sciences 8, no. 11 (October 28, 2016): 75. http://dx.doi.org/10.22159/ijpps.2016v8i11.12634.
Tshering, Kipchu, and 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, no. 3 (September 21, 2016): 164. http://dx.doi.org/10.3329/bsmmuj.v9i3.29650.
Wang, Junmei, Xinshan Kang, Irwin D. Kuntz, and 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, no. 7 (April 2005): 2432–44. http://dx.doi.org/10.1021/jm049606e.
Nugraha, Rivo YB, Icha FD Faratisha, Kana Mardhiyyah, Dio G. Ariel, Fitria F. Putri, Nafisatuzzamrudah, Sri Winarsih, Teguh W. Sardjono, and Loeki E. Fitri. "Antimalarial Properties of Isoquinoline Derivative from Streptomyces hygroscopicus subsp. Hygroscopicus: An In Silico Approach." BioMed Research International 2020 (January 9, 2020): 1–15. http://dx.doi.org/10.1155/2020/6135696.
Tien, Nguyen Truong, and 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, no. 1 (January 6, 2019): 53–58. http://dx.doi.org/10.32508/stdjns.v2i1.674.
Khan, Mahmood-ul-Hassan, Shahid Hameed, Muhammad Farman, Najim A. Al-Masoudi, and 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, no. 8 (August 1, 2015): 609–16. http://dx.doi.org/10.1515/znb-2015-0032.
Konyar, Dilan, and 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, no. 2 (April 17, 2024): 18. http://dx.doi.org/10.33483/jfpau.1444259.
Tarasova, Olga, Vladimir Poroikov, and Alexander Veselovsky. "Molecular Docking Studies of HIV-1 Resistance to Reverse Transcriptase Inhibitors: Mini-Review." Molecules 23, no. 5 (May 21, 2018): 1233. http://dx.doi.org/10.3390/molecules23051233.
Fan, Shengjun, Qiang Geng, Zhenyu Pan, Xin Li, Lu Tie, Yan Pan, and Xuejun Li. "Clarifying off-target effects for torcetrapib using network pharmacology and reverse docking approach." BMC Systems Biology 6, no. 1 (2012): 152. http://dx.doi.org/10.1186/1752-0509-6-152.
Billones, Junie. "Reverse docking study unravels the potential Mycobacterium tuberculosis enzyme targets of Agelasine F." Oriental Journal of Chemistry 32, no. 2 (April 25, 2016): 851–58. http://dx.doi.org/10.13005/ojc/320210.
Joseph Harriman, D., Glen F. Deleavey, Andreas Lambropoulos, and Ghislain Deslongchamps. "Reverse-docking study of the organocatalyzed asymmetric Strecker hydrocyanation of aldimines and ketimines." Tetrahedron 63, no. 52 (December 2007): 13032–38. http://dx.doi.org/10.1016/j.tet.2007.10.009.
Ragno, Rino, Simona Frasca, Fabrizio Manetti, Antonella Brizzi, and Silvio Massa. "HIV-Reverse Transcriptase Inhibition: Inclusion of Ligand-Induced Fit by Cross-Docking Studies." Journal of Medicinal Chemistry 48, no. 1 (January 2005): 200–212. http://dx.doi.org/10.1021/jm0493921.
Kheirkhah, Amirsaman, and Saeid Rezaei. "Using cross-docking operations in a reverse logistics network design: a new approach." Production Engineering 10, no. 2 (November 28, 2015): 175–84. http://dx.doi.org/10.1007/s11740-015-0646-3.
Pitta, Eleni, Evangelia Tsolaki, Athina Geronikaki, Jovana Petrović, Jasmina Glamočlija, Marina Soković, Emmanuele Crespan, Giovanni Maga, Shome S. Bhunia, and Anil K. Saxena. "4-Thiazolidinone derivatives as potent antimicrobial agents: microwave-assisted synthesis, biological evaluation and docking studies." MedChemComm 6, no. 2 (2015): 319–26. http://dx.doi.org/10.1039/c4md00399c.
Alharbi, Ahmed. "Molecular docking based design of Inhibitors for viral Non-Nucleosidase as potential anti-retroviral agents." Bioinformation 16, no. 10 (October 31, 2020): 736–41. http://dx.doi.org/10.6026/97320630016736.
Gong, Chang, Zihao Liu, Qun Lin, Yu Shi, Qing Luo, Yinghuan Cen, Juanmei Li, Xiaolin Fang, and Wenguo Jiang. "Anti-PITPNM3 small molecular compounds reverse breast cancer metastasis by targeting PITPNM3." Journal of Clinical Oncology 39, no. 15_suppl (May 20, 2021): e15005-e15005. http://dx.doi.org/10.1200/jco.2021.39.15_suppl.e15005.
Chandra, Priyanka, Swastika Swastika, and 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, no. 03 (September 30, 2023): 293. http://dx.doi.org/10.59467/ijhc.2023.33.293.
Krishnamoorthy, Praveen K. P., Sekar Subasree, Udhayachandran Arthi, Mohammad Mobashir, Chirag Gowda, and Prasanna D. Revanasiddappa. "T-cell Epitope-based Vaccine Design for Nipah Virus by Reverse Vaccinology Approach." Combinatorial Chemistry & High Throughput Screening 23, no. 8 (November 2, 2020): 788–96. http://dx.doi.org/10.2174/1386207323666200427114343.
Rasyadan Taufiq Probojati, Ahmad Affan Ali Murtadlo, Md. Emdad Ullah, Sin War Naw, and 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, no. 01 (June 9, 2022): 26–31. http://dx.doi.org/10.24036/sainstek/vol1-iss01/6.
Wang, Yueping, Jie Chang, Jiangyuan Wang, Peng Zhong, Yufang Zhang, Christopher Cong Lai, and Yanping He. "3D-QSAR Studies of S-DABO Derivatives as Non-nucleoside HIV-1 Reverse Transcriptase Inhibitors." Letters in Drug Design & Discovery 16, no. 8 (August 8, 2019): 868–81. http://dx.doi.org/10.2174/1570180815666180810112321.
Mukherjee, Taniya, Isha Sangal, Biswajit Sarkar, Qais Almaamari, and Tamer M. Alkadash. "How Effective Is Reverse Cross-Docking and Carbon Policies in Controlling Carbon Emission from the Fashion Industry?" Mathematics 11, no. 13 (June 27, 2023): 2880. http://dx.doi.org/10.3390/math11132880.
Rotich, Winnie, Nicholas J. Sadgrove, Eduard Mas-Claret, Guillermo F. Padilla-González, Anastasia Guantai, and 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, no. 10 (September 30, 2021): 1009. http://dx.doi.org/10.3390/ph14101009.
Islam, Sk Injamamul, Saloa Sanjida, Sheikh Sunzid Ahmed, Mazen Almehmadi, Mamdouh Allahyani, Abdulelah Aljuaid, Ahad Amer Alsaiari, and Mustafa Halawi. "Core Proteomics and Immunoinformatic Approaches to Design a Multiepitope Reverse Vaccine Candidate against Chagas Disease." Vaccines 10, no. 10 (October 7, 2022): 1669. http://dx.doi.org/10.3390/vaccines10101669.
Sree Latha, Ramaswamy, Ramadoss Vijayaraj, Ettayapuram Ramaprasad Azhagiya Singam, Krishnaswamy Chitra, and Venkatesan Subramanian. "3D-QSAR and Docking Studies on the HEPT Derivatives of HIV-1 Reverse Transcriptase." Chemical Biology & Drug Design 78, no. 3 (July 29, 2011): 418–26. http://dx.doi.org/10.1111/j.1747-0285.2011.01162.x.