Search Results - "Molecular modelling"

Investigation on the differences of four flavonoids with similar structure binding to human serum albumin by Chao-Zhan Lin, Min Hu, Ai-Zhi Wu, Chen-Chen Zhu

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Berbamine Suppresses the Growth of Gastric Cancer Cells by Inactivating the BRD4/c-MYC Signaling Pathway by Li H, Luo K, Yang Z, Chen M, Yang X, Wang J, Ying Y, Wu D, Wang Q

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Software based approaches for drug designing and development: A systematic review on commonly used software and its applications by Prasad G. Jamkhande, Mahavir H. Ghante, Balaji R. Ajgunde

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Improving the positional adaptability: structure-based design of biphenyl-substituted diaryltriazines as novel non-nucleoside HIV-1 reverse transcriptase inhibitors by Kaijun Jin, Minjie Liu, Chunlin Zhuang, Erik De Clercq, Christophe Pannecouque, Ge Meng, Fener Chen

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Thermal Stability and Inhibitory Action of Red Grape Skin Phytochemicals against Enzymes Associated with Metabolic Syndrome by Daniela Serea, Nina Nicoleta Condurache, Iuliana Aprodu, Oana Emilia Constantin, Gabriela-Elena Bahrim, Nicoleta Stănciuc, Silvius Stanciu, Gabriela Rapeanu

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Investigation of the Impact of Saccharides on the Relative Activity of Trypsin and Catalase after Droplet and Spray Drying by Johanna Dieplinger, Christina Moser, Gerhard König, Joana T. Pinto, Amrit Paudel

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Comparative study of β-cyclodextrin, γ-cyclodextrin and 4-tert-butylcalix[8]arene ionophores as electroactive materials for the construction of new sensors for trazodone... by Alrabiah H, Aljohar HI, Bakheit AH, Homoda AMA, Mostafa GAH

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Coupling Genotyping and Computational Modeling in Prediction of Anti-epileptic Drugs that cause Stevens Johnson Syndrome and Toxic Epidermal Necrolysis for Carrier of HLA-B*15:02 by Lay Kek Teh, Manikandan Selvaraj, Zakaria Bannur, Mohd Ikhwan Mohd Ismail, Hanip Rafia, Wan Chung Law, Sapiah Sapuan, Santhi Puvanarajah, Pakeer Shaik Syed Ali, Mohd Zaki Salleh

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Editorial: Chemoinformatics Approaches to Structure- and Ligand-Based Drug Design by Leonardo L. G. Ferreira, Adriano D. Andricopulo

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Computational polypharmacology comes of age by Giulio eRastelli, Luca ePinzi

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Synergistic Combination of <i>Citrus</i> Flavanones as Strong Antioxidant and COX-Inhibitor Agent by Antonella Smeriglio, Nunzio Iraci, Marcella Denaro, Giuseppina Mandalari, Salvatore Vincenzo Giofrè, Domenico Trombetta

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Drug nanoclusters formed in confined nano-cages of CD-MOF: dramatic enhancement of solubility and bioavailability of azilsartan by Yuanzhi He, Wei Zhang, Tao Guo, Guoqing Zhang, Wei Qin, Liu Zhang, Caifen Wang, Weifeng Zhu, Ming Yang, Xiaoxiao Hu, Vikramjeet Singh, Li Wu, Ruxandra Gref, Jiwen Zhang

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Improvement in the dissolution rate and tableting properties of cefuroxime axetil by melt-granulated dispersion and surface adsorption by Jammula Sruti, Chinam Niranjan Patra, Suryakanta Swain, Kanhu Charan Panigrahi, Allupati Premananda Patro, Sarwar Beg, Subas Chandra Dinda, Muddana Eswara Bhanoji Rao

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In silico Design and Synthesis of Tetrahydropyrimidinones and Tetrahydropyrimidinethiones as Potential Thymidylate Kinase Inhibitors Exerting Anti-TB Activity Against Mycobacterium... by Venugopala KN, Tratrat C, Pillay M, Chandrashekharappa S, Al-Attraqchi OHA, Aldhubiab BE, Attimarad M, Alwassil OI, Nair AB, Sreeharsha N, Venugopala R, Morsy MA, Haroun M, Kumalo HM, Odhav B, Mlisana K

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Editorial: Insights in silico methods and artificial intelligence for drug discovery: 2022 by José L. Medina-Franco

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Grand Challenges of Computer-Aided Drug Design: The Road Ahead by José L. Medina-Franco

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Preparation method and characterization of inclusion complex of Theophylline/Beta / Marina Mokhtar and Rohana Adnan by Mokhtar, Marina, Adnan, Rohana

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The Selective Rat Toxicant Norbormide Blocks KATP Channels in Smooth Muscle Cells But Not in Insulin-Secreting Cells by Simona Saponara, Fabio Fusi, Ottavia Spiga, Alfonso Trezza, Brian Hopkins, Brian Hopkins, Margaret A. Brimble, David Rennison, Sergio Bova

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Aptamer-Functionalized Drug Nanocarrier Improves Hepatocellular Carcinoma toward Normal by Targeting Neoplastic Hepatocytes by Samrat Chakraborty, Zewdu Yilma Dlie, Somdyuti Chakraborty, Somdatta Roy, Biswajit Mukherjee, Shila Elizabeth Besra, Saikat Dewanjee, Alankar Mukherjee, Probir Kumar Ojha, Vinay Kumar, Ramkrishna Sen

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New Synthetic Analogues of Natural Polyphenols as Sirtuin 1-Activating Compounds by Giulia Bononi, Lorenzo Flori, Valentina Citi, Cecilia Acciai, Viviana Nocilla, Alma Martelli, Giulio Poli, Tiziano Tuccinardi, Carlotta Granchi, Lara Testai, Vincenzo Calderone, Filippo Minutolo

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