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The influence of lipophilicity in drug discovery and design

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Pages 863-875 | Published online: 19 Sep 2012

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Preantha Poonan, Xylia Q. Peters, Mahmoud E.S. Soliman, Mohamed I. Alahmdi & Nader E. Abo-Dya. (2023) Pharmacophore-based Identification of Potential Mutant Isocitrate Dehydrogenases I/2 Inhibitors: An Explorative Avenue in Cancer Drug Design. Anti-Cancer Agents in Medicinal Chemistry 23:8, pages 953-966.
Crossref
Amal Guerraoui, Meriem Goudjil, Amani Direm, Abdenour Guerraoui, İlkin Yücel Şengün, Cemal Parlak, Amel Djedouani, Laura Chelazzi, Filippo Monti, Eugenio Lunedei & Abdecharif Boumaza. (2023) A rhodanine derivative as a potential antibacterial and anticancer agent: Crystal structure, spectral characterization, DFT calculations, Hirshfeld surface analysis, in silico molecular docking and ADMET studies. Journal of Molecular Structure 1280, pages 135025.
Crossref
Cheng Chen, Shi-Meng Guo, Yuanjun Sun, He Li, Nan Hu, Kun Yao, Huxin Ni, Zhikan Xia, Bin Xu, Xin Xie & Ya-Qiu Long. (2023) Discovery of orally effective and safe GPR40 agonists by incorporating a chiral, rigid and polar sulfoxide into β-position to the carboxylic acid. European Journal of Medicinal Chemistry 251, pages 115267.
Crossref
Elizabeth A. Jurica, Ximao Wu, Kristin N. Williams, Lauren E. Haque, Richard A. Rampulla, Arvind Mathur, Min Zhou, Gary Cao, Hong Cai, Tao Wang, Heng Liu, Carrie Xu, Lori K. Kunselman, Thomas M. Antrilli, Michael B. Hicks, Qin Sun, Elizabeth A. Dierks, Atsu Apedo, Douglas B. Moore, Kimberly A. Foster, Mary Ellen Cvijic, Reshma Panemangalore, Purnima Khandelwal, Jason J. Wilkes, Bradley A. Zinker, Donald G. Robertson, Evan B. Janovitz, Michael Galella, Yi-Xin Li, Julia Li, Thangeswaran Ramar, Prasada Rao Jalagam, Ramya Jayaram, Jean M. Whaley, Joel C. Barrish, Jeffrey A. Robl, William R. Ewing & Bruce A. Ellsworth. (2023) Optimization of physicochemical properties of pyrrolidine GPR40 AgoPAMs results in a differentiated profile with improved pharmacokinetics and reduced off-target activities. Bioorganic & Medicinal Chemistry 85, pages 117273.
Crossref
Yan-Jing Duan, Li Fu, Xiao-Chen Zhang, Teng-Zhi Long, Yuan-Hang He, Zhao-Qian Liu, Ai-Ping Lu, Ya-Feng Deng, Chang-Yu Hsieh, Ting-Jun Hou & Dong-Sheng Cao. (2023) Improved GNNs for Log  D 7.4 Prediction by Transferring Knowledge from Low-Fidelity Data . Journal of Chemical Information and Modeling 63:8, pages 2345-2359.
Crossref
Michael A. Mong. (2023) Vitamin K and the Visual System—A Narrative Review. Nutrients 15:8, pages 1948.
Crossref
Zhong Wang, Hannah R. Felstead, Robert I. Troup, Bruno Linclau & Philip T. F. Williamson. (2023) Lipophilicity Modulations by Fluorination Correlate with Membrane Partitioning. Angewandte Chemie.
Crossref
Rahul Tripathi & Pravir Kumar. (2023) Preliminary study to identify CXCR4 inhibitors as potential therapeutic agents for Alzheimer’s and Parkinson’s diseases. Integrative Biology 15.
Crossref
Zaw-Myo Win, Allen M. Y. Cheong & W. Scott Hopkins. (2023) Using Machine Learning To Predict Partition Coefficient (Log P ) and Distribution Coefficient (Log D ) with Molecular Descriptors and Liquid Chromatography Retention Time . Journal of Chemical Information and Modeling 63:7, pages 1906-1913.
Crossref
Zeinab A. Abdallah, Sherif M. H. Sanad, Ahmed E. M. Mekky & Mohamed S. Mohamed Ahmed. (2023) New Arylazo‐Based (Chromene‐Thiazole) Hybrids as Potential MRSA Inhibitors. Chemistry & Biodiversity 20:4.
Crossref
Marius R. Bittermann, Tatiana I. Morozova, Santiago F. Velandia, Elham Mirzahossein, Antoine Deblais, Sander Woutersen & Daniel Bonn. (2023) Surface-Mediated Molecular Transport of a Lipophilic Fluorescent Probe in Polydisperse Oil-in-Water Emulsions. Langmuir 39:12, pages 4207-4215.
Crossref
Daria Klimoszek & Alina Pyka-Pająk. (2023) Lipophilicity Study of Fumaric and Maleic Acids. Processes 11:4, pages 993.
Crossref
Gian Marco Ghiandoni & Eike Caldeweyher. (2023) Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules. Scientific Reports 13:1.
Crossref
Sathishkumar A, Umarani G, Tamilarasi G, Senthilkumar R & Mohanapriya K. (2023) Insilico pharmacological evaluation of dibenzosuberenone derivatives as antidepressant. World Journal of Current Medical and Pharmaceutical Research, pages 25-29.
Crossref
Hemanta Chowdhury, Asit Kumar Bera, Subhashree Subhasmita Raut, Ramesh Chandra Malick, Himanshu Sekhar Swain, Ajoy Saha & Basanta Kumar Das. (2023) In Vitro Antibacterial Efficacy of Cymbopogon flexuosus Essential Oil against Aeromonas hydrophila of Fish Origin and in Silico Molecular Docking of the Essential Oil Components against DNA Gyrase‐B and Their Drug‐Likeness . Chemistry & Biodiversity 20:3.
Crossref
Justyna Piekielna-Ciesielska, Davide Malfacini, Francine Medjiofack Djeujo, Chantal Marconato, Karol Wtorek, Girolamo Calo’ & Anna Janecka. (2023) Functional selectivity of EM-2 analogs at the mu-opioid receptor. Frontiers in Pharmacology 14.
Crossref
Kit-Kay Mak, Zhang Shiming, Raghavendra Sakirolla, Madhu Katyayani Balijepalli, Albena T. Dinkova-Kostova, Ola Epemolu, Zulkefeli Mohd & Mallikarjuna Rao Pichika. (2023) Synthesis of New Shogaol Analogues as NRF2 Activators and Evaluation of Their Anti-Inflammatory Activity, Modes of Action and Metabolic Stability. Antioxidants 12:2, pages 475.
Crossref
Hittanahallikoppal Gajendramurthy Gowtham, Faiyaz Ahmed, Satish Anandan, C. S. Shivakumara, Ashween Bilagi, Sushma Pradeep, Chandan Shivamallu, Ali A. Shati, Mohammad Y. Alfaifi, Serag Eldin I. Elbehairi, Raghu Ram Achar, Ekaterina Silina, Victor Stupin, Mahadevamurthy Murali & Shiva Prasad Kollur. (2023) In Silico Computational Studies of Bioactive Secondary Metabolites from Wedelia trilobata against Anti-Apoptotic B-Cell Lymphoma-2 (Bcl-2) Protein Associated with Cancer Cell Survival and Resistance. Molecules 28:4, pages 1588.
Crossref
Simon E. Ward & Andrew M. Davis. 2023. The Handbook of Medicinal Chemistry. The Handbook of Medicinal Chemistry 720 768 .
Jyoti Rasgania, Renu Gavadia & Komal Jakhar. (2023) Facile synthesis, pharmacological and In silico analysis of succinimide derivatives: An approach towards drug discovery. Journal of Molecular Structure 1274, pages 134424.
Crossref
Tejshri R. Deshmukh, Vijay M. Khedkar, Jaiprakash N. Sangshetti & Bapurao B. Shingate. (2022) Exploring the antioxidant potential of bis-1,2,3-triazolyl-N-phenylacetamides. Research on Chemical Intermediates 49:2, pages 635-653.
Crossref
Sigal Saphier, Shahaf Katalan, Guy Yacov, Anat Berliner, Orit Redy‐Keisar, Gil Fridkin, Lee Ghindes‐Azaria, Ishay Columbus, Alexander Pevzner, Eyal Drug, Hagit Prihed, Eytan Gershonov, Yoav Eichen, Shlomi Elias, Galit Parvari & Yossi Zafrani. (2022) Placing CF 2 in the Center: Major Physicochemical Changes Upon a Minor Structural Alteration in Gem‐Difunctional Compounds . Chemistry – A European Journal 29:7.
Crossref
Milena M. Petrović, Cornelia Roschger, Kevin Lang, Andreas Zierer, Milan Mladenović, Snežana Trifunović, Boris Mandić & Milan D. Joksović. (2022) Synthesis and biological evaluation of new quinoline‐4‐carboxylic acid‐chalcone hybrids as dihydroorotate dehydrogenase inhibitors. Archiv der Pharmazie 356:2.
Crossref
Łukasz Wołowiec, Grzegorz Grześk, Joanna Osiak, Aleksandra Wijata, Martyna Mędlewska, Patryk Gaborek, Joanna Banach, Anna Wołowiec & Mariola Głowacka. (2023) Beta-blockers in cardiac arrhythmias–Clinical pharmacologist’s point of view. Frontiers in Pharmacology 13.
Crossref
Zilin Zhu, Li Wei, Ashish Kumar Yadav, Zhongxian Fan, Ashish Kumar, Mengzhao Miao, Samya Banerjee & Huaiyi Huang. (2022) Cyanine-Functionalized 2,2′-Bipyridine Compounds for Photocatalytic Cancer Therapy. The Journal of Organic Chemistry 88:1, pages 626-631.
Crossref
JingYu Lim, LaiTi Gew & Yin-Quan Tang. (2023) Biocomputational-mediated screening and molecular docking platforms for discovery of coumarin-derived antimelanogenesis agents. Dermatologica Sinica 41:1, pages 8.
Crossref
William J. Zamora, Antonio Viayna, Silvana Pinheiro, Carles Curutchet, Laia Bisbal, Rebeca Ruiz, Clara Ràfols & F. Javier Luque. (2023) Prediction of toluene/water partition coefficients in the SAMPL9 blind challenge: assessment of machine learning and IEF-PCM/MST continuum solvation models. Physical Chemistry Chemical Physics.
Crossref
Rongbo Wang, Yeong-Geun Lee, Sanjeevram Dhandapani, Nam-In Baek, Kwang-Pyo Kim, Yeong-Eun Cho, Xingyue Xu & Yeon-Ju Kim. (2023) 8-paradol from ginger exacerbates PINK1/Parkin mediated mitophagy to induce apoptosis in human gastric adenocarcinoma. Pharmacological Research 187, pages 106610.
Crossref
Jamil Ahmed, Md Maruf Raihan, Tanjin Barketullah Robin, Md. Razwan Sardar Sami, Saklayeen Mahfuz, Nabioun Haque, Hafsa Akter, Md Nazmul Islam Bappy, Dilruba Afrin & Mahmuda Akther Moli. (2023) A computational approach to identify novel plant metabolites against Aspergillus fumigatus. Informatics in Medicine Unlocked 42, pages 101385.
Crossref
Jamil Ahmed, Nabioun Haque, Saklayeen Mahfuz, Tanjin Barketullah Robin, Md Razwan Sardar Sami, Md Maruf Raihan, Hafsa Akter & Md Nazmul Islam Bappy. (2023) Investigation of plant metabolites as potential inhibitors of Acinetobacter baumannii: An In-Silico approach. Informatics in Medicine Unlocked 41, pages 101343.
Crossref
Xinyan Peng, Qiushi Chen, Bo Han, Hao Zhang, Jianqi Li & Qingwei Zhang. 2023. Privileged Scaffolds in Drug Discovery. Privileged Scaffolds in Drug Discovery 273 299 .
Firasat Hussain, Muhammad Naveed Nawaz, Kashif Rahim, Hafiza Sabeera Sahar, Muhammad Adnan & Muhammad Nisar. 2023. Application of Natural Products in SARS-CoV-2. Application of Natural Products in SARS-CoV-2 47 81 .
Ken‐ichiro Taoka, Ikumi Kawahara, Shoko Shinya, Ken‐ichi Harada, Eiki Yamashita, Zenpei Shimatani, Kyoko Furuita, Tomoaki Muranaka, Tokitaka Oyama, Rie Terada, Atsushi Nakagawa, Toshimichi Fujiwara, Hiroyuki Tsuji & Chojiro Kojima. (2022) Multifunctional chemical inhibitors of the florigen activation complex discovered by structure‐based high‐throughput screening. The Plant Journal 112:6, pages 1337-1349.
Crossref
Selbi Keskin, Şengül Dilem Doğan, Miyase Gözde Gündüz, Ivana Aleksic, Sandra Vojnovic, Jelena Lazic & Jasmina Nikodinovic-Runic. (2022) Indole-based hydrazone derivatives: Synthesis, cytotoxicity assessment, and molecular modeling studies. Journal of Molecular Structure 1270, pages 133936.
Crossref
Rafael A.C. Souza, Vito L. Cunha, Jonathan Henrique de Souza, Carlos H.G. Martins, Eduardo de F. Franca, Marcos Pivatto, Javier A. Ellena, Leandro A. Faustino, Antonio Otavio de T. Patrocinio, Victor M. Deflon, Pedro Ivo da S. Maia & Carolina G. Oliveira. (2022) Zinc(II) complexes bearing N,N,S ligands: Synthesis, crystal structure, spectroscopic analysis, molecular docking and biological investigations about its antifungal activity. Journal of Inorganic Biochemistry 237, pages 111995.
Crossref
Yongtao Xu, Baoyi Fan, Yunlong Gao, Yifan Chen, Di Han, Jiarui Lu, Taigang Liu, Qinghe Gao, John Zenghui Zhang & Meiting Wang. (2022) Design Two Novel Tetrahydroquinoline Derivatives against Anticancer Target LSD1 with 3D-QSAR Model and Molecular Simulation. Molecules 27:23, pages 8358.
Crossref
Wiwit Nurhidayah, Luthfi Utami Setyawati, Isti Daruwati, Amirah Mohd Gazzali, Toto Subroto & Muchtaridi Muchtaridi. (2022) Future Prospective of Radiopharmaceuticals from Natural Compounds Using Iodine Radioisotopes as Theranostic Agents. Molecules 27:22, pages 8009.
Crossref
Lauren E. Brown, Scott Seitz, Ashley V. Kondas, Paul T. Marcyk, Claire Marie Filone, Mohammad M. Hossain, Scott E. Schaus, Victoria A. Olson & John H. Connor. (2022) Identification of Small Molecules with Improved Potency against Orthopoxviruses from Vaccinia to Smallpox. Antimicrobial Agents and Chemotherapy 66:11.
Crossref
Samiah Hamad Al-Mijalli, Nidal Naceiri Mrabti, Hayat Ouassou, Ryan A. Sheikh, Emad M. Abdallah, Hamza Assaggaf, Saad Bakrim, Mohammed Merae Alshahrani, Ahmed Abdullah Al Awadh, Ahmed Qasem, Ammar Attar, Learn-Han Lee, Abdelhakim Bouyahya, Khang Wen Goh, Long Chiau Ming & Hanae Naceiri Mrabti. (2022) Phytochemical Variability, In Vitro and In Vivo Biological Investigations, and In Silico Antibacterial Mechanisms of Mentha piperita Essential Oils Collected from Two Different Regions in Morocco. Foods 11:21, pages 3466.
Crossref
Ahmed A. M. Ahmed, Ahmed E. M. Mekky & Sherif M. H. Sanad. (2022) New bis(pyrazolo[3,4-b]pyridines) and bis(thieno[2,3-b]pyridines) as potential acetylcholinesterase inhibitors: synthesis, in vitro and SwissADME prediction study. Journal of the Iranian Chemical Society 19:11, pages 4457-4471.
Crossref
Svetlana Blokhina, Angelica Sharapova, Marina Ol’khovich & German Perlovich. (2022) Experimental and thermodynamic study of solubility, partition and solvation of climbazole. Journal of Thermal Analysis and Calorimetry 147:21, pages 11977-11989.
Crossref
Qiwen Pang, Yang Li, Xin Xie, Jie Tang, Qian Liu, Cheng Peng, Xiang Li & Bo Han. (2022) The emerging role of radical chemistry in the amination transformation of highly strained [1.1.1]propellane: Bicyclo[1.1.1]pentylamine as bioisosteres of anilines. Frontiers in Chemistry 10.
Crossref
Roohi Kesharwani, Pankaj Jaiswal, Dilip Kumar Patel & Pankaj Kumar Yadav. (2022) Lipid-Based Drug Delivery System (LBDDS): An Emerging Paradigm to Enhance Oral Bioavailability of Poorly Soluble Drugs. Biomedical Materials & Devices.
Crossref
Dominika Pindjakova, Eliska Pilarova, Karel Pauk, Hana Michnova, Jan Hosek, Pratibha Magar, Alois Cizek, Ales Imramovsky & Josef Jampilek. (2022) Study of Biological Activities and ADMET-Related Properties of Salicylanilide-Based Peptidomimetics. International Journal of Molecular Sciences 23:19, pages 11648.
Crossref
Sherif M. H. Sanad, Ahmed E. M. Mekky & Ahmed A. M. Ahmed. (2022) Tandem synthesis, cytotoxicity, and in silico study of new 1,3,4‐oxadiazoles as potential thymidylate synthase inhibitors. Archiv der Pharmazie 355:10.
Crossref
Haresh S. Kalasariya, Nikunj B. Patel, Amel Gacem, Taghreed Alsufyani, Lisa M. Reece, Virendra Kumar Yadav, Nasser S. Awwad, Hala A. Ibrahium, Yongtae Ahn, Krishna Kumar Yadav & Byong-Hun Jeon. (2022) Marine Alga Ulva fasciata-Derived Molecules for the Potential Treatment of SARS-CoV-2: An In Silico Approach. Marine Drugs 20:9, pages 586.
Crossref
Lúcio R. Lima, Ruan S. Bastos, Elenilze F. B. Ferreira, Rozires P. Leão, Pedro H. F. Araújo, Samuel S. da R. Pita, Humberto F. De Freitas, José M. Espejo-Román, Edla L. V. S. Dos Santos, Ryan da S. Ramos, Williams J. C. Macêdo & Cleydson B. R. Santos. (2022) Identification of Potential New Aedes aegypti Juvenile Hormone Inhibitors from N-Acyl Piperidine Derivatives: A Bioinformatics Approach. International Journal of Molecular Sciences 23:17, pages 9927.
Crossref
Tassanee Ongtanasup, Smith Wanmasae, Siriwan Srisang, Chawan Manaspon, Soiphet Net-anong & Komgrit Eawsakul. (2022) In silico investigation of ACE2 and the main protease of SARS-CoV-2 with phytochemicals from Myristica fragrans (Houtt.) for the discovery of a novel COVID-19 drug. Saudi Journal of Biological Sciences 29:9, pages 103389.
Crossref
Wei Zhou, Ziyi Chen, Zhangfu Fang & Damo Xu. (2022) Network analysis for elucidating the mechanisms of Shenfu injection in preventing and treating COVID-19 combined with heart failure. Computers in Biology and Medicine 148, pages 105845.
Crossref
Bauyrzhan Myrzakhmetov, Jonathan Honorien, Philippe Arnoux, René Fournet, Irina Tsoy & Céline Frochot. (2022) Lipophilicity prediction of three photosensitizers by liquid–liquid extraction, HPLC, and DFT methods. Luminescence 37:9, pages 1597-1608.
Crossref
José X. Soares, Álvaro Santos, Carla Fernandes & Madalena M. M. Pinto. (2022) Liquid Chromatography on the Different Methods for the Determination of Lipophilicity: An Essential Analytical Tool in Medicinal Chemistry. Chemosensors 10:8, pages 340.
Crossref
Gabriel dos Santos e Silva, Joane Nátaly de Jesus Marques, Emily Pacelli Moreira Linhares, Carolina Martinez Bonora, Érico Tosoni Costa & Mauricio Frota Saraiva. (2022) Review of anticancer activity of monoterpenoids: Geraniol, nerol, geranial and neral. Chemico-Biological Interactions 362, pages 109994.
Crossref
Matthew W.D. Perry, Ulf Börjesson, Antonios Nikitidis & Christian Tyrchan. (2022) Surprising lipophilicity observations identify unexpected conformational effects. Bioorganic & Medicinal Chemistry Letters 69, pages 128786.
Crossref
Jelena Z. Penjišević, Vladimir B. Šukalović, Deana B. Andrić, Relja Suručić & Sladjana V. Kostić-Rajačić. (2022) The Therapeutic Potential of 2-{[4-(2-methoxyphenyl)piperazin-1-yl]alkyl}-1H-benzo[d]imidazoles as Ligands for Alpha1-Adrenergic Receptor - Comparative In Silico and In Vitro Study. Applied Biochemistry and Biotechnology 194:8, pages 3749-3764.
Crossref
Io Antonopoulou, Eleftheria Sapountzaki, Ulrika Rova & Paul Christakopoulos. (2022) The Inhibitory Potential of Ferulic Acid Derivatives against the SARS-CoV-2 Main Protease: Molecular Docking, Molecular Dynamics, and ADMET Evaluation. Biomedicines 10:8, pages 1787.
Crossref
Chandan Patel & Dipankar Roy. (2022) Octanol–Water Partition Coefficients of Fluorinated Drug Molecules with Continuum Solvation Models. The Journal of Physical Chemistry A 126:26, pages 4185-4190.
Crossref
Suryanarayana Allu, Abhijit Garai, Vladimir V. Chernyshev & Ashwini K. Nangia. (2022) Synthesis of Ternary Cocrystals, Salts, and Hydrates of Acefylline with Enhanced Dissolution and High Permeability. Crystal Growth & Design 22:7, pages 4165-4181.
Crossref
Hao Yang, Yu Li, Ruoyun Lin, Zhen Ouyang, Mingli Han, Lijun Zhu, Shizhen Chen, Xin Zhou & Zhong-Xing Jiang. (2022) Synthesis of symmetrical secondary oligoethylene glycolated amines from diethanolamine. Organic & Biomolecular Chemistry 20:25, pages 5129-5138.
Crossref
Renato A. da Costa, João A. P. da Rocha, Alan S. Pinheiro, Andréia do S. S. da Costa, Elaine C. M. da Rocha, Rai. C. Silva, Arlan da S. Gonçalves, Cleydson B. R. Santos & Davi do S. B. Brasil. (2022) A Computational Approach Applied to the Study of Potential Allosteric Inhibitors Protease NS2B/NS3 from Dengue Virus. Molecules 27:13, pages 4118.
Crossref
Thi Huyen Vu, Erika Adhel, Katarina Vielfort, Ngûyet-Thanh Ha Duong, Guillaume Anquetin, Katy Jeannot, Philippe Verbeke, Sofia Hjalmar, Åsa Gylfe & Nawal Serradji. (2022) Modified Fluoroquinolones as Antimicrobial Compounds Targeting Chlamydia trachomatis. International Journal of Molecular Sciences 23:12, pages 6741.
Crossref
Chun Hau Gan, Kong Wai Tan, Mei Lee Ooi, Jonathan Wee Kent Liew, Yee Ling Ng, Yee Ling Lau, Yin Zhuang Ng, Chew Hee Ng, Chun Hoe Tan & Richard C.S. Wong. (2022) Synthesis, anticancer and antimalarial activities of organosulfur and organoselenium derivatives of cyclopentadienyliron dicarbonyl as photoCORMs. Inorganica Chimica Acta 536, pages 120872.
Crossref
Jun Zhang, Qin Wang, Yang Su, Saimeng Jin, Jingzheng Ren, Mario Eden & Weifeng Shen. (2022) An accurate and interpretable deep learning model for environmental properties prediction using hybrid molecular representations. AIChE Journal 68:6.
Crossref
Hideaki Mamada, Yukihiro Nomura & Yoshihiro Uesawa. (2022) Novel QSAR Approach for a Regression Model of Clearance That Combines DeepSnap-Deep Learning and Conventional Machine Learning. ACS Omega 7:20, pages 17055-17062.
Crossref
Rashmika Moodley, Chakes Mashaba, Goitsemodimo Rakodi, Nomagugu Ncube, Mabuatsela Maphoru, Mohammed Balogun, Audrey Jordan, Digby Warner, Rene Khan & Matshawandile Tukulula. (2022) New Quinoline–Urea–Benzothiazole Hybrids as Promising Antitubercular Agents: Synthesis, In Vitro Antitubercular Activity, Cytotoxicity Studies, and In Silico ADME Profiling. Pharmaceuticals 15:5, pages 576.
Crossref
Sudip Gorai, Vivek Junghare, Kshama Kundu, Sowmomita Gharui, Mukesh Kumar, Birija Sankar Patro, Sandip K. Nayak, Saugata Hazra & Soumyaditya Mula. (2022) Synthesis of Dihydrobenzofuro[3,2‐ b ]chromenes as Potential 3CLpro Inhibitors of SARS‐CoV‐2: A Molecular Docking and Molecular Dynamics Study . ChemMedChem 17:8.
Crossref
Amel Sassi, Randa Mudathir & Angela Zeimingui. (2022) Novel Techniques for Small Molecule-Based Drug Delivery in Cancerous Tissue: A Literature Review. Undergraduate Research in Natural and Clinical Science and Technology (URNCST) Journal 6:4, pages 1-9.
Crossref
Kaneez Fatima, Suaib Luqman & Abha Meena. (2022) Carvacrol Arrests the Proliferation of Hypopharyngeal Carcinoma Cells by Suppressing Ornithine Decarboxylase and Hyaluronidase Activities. Frontiers in Nutrition 9.
Crossref
Ann M. Decker, Marcus F. Brackeen, Aida Mohammadkhani, Chad M. Kormos, David Hesk, Stephanie L. Borgland & Bruce E. Blough. (2022) Identification of a Potent Human Trace Amine-Associated Receptor 1 Antagonist. ACS Chemical Neuroscience 13:7, pages 1082-1095.
Crossref
Olalla Novo Fernández, Diego Oliveros, Ramon Canela Garayoa, Mercè Balcells Fluvià, Jonh J. Méndez Arteaga & Jordi Eras Joli. (2022) Introducing Lipophilicity to (Polyhydroxyalkyl)thiazolidine Carboxylic Acids Via Acylation. ACS Omega 7:13, pages 11075-11081.
Crossref
Mahadevamurthy Murali, Hittanahallikoppal Gajendramurthy Gowtham, Mohammad Azam Ansari, Mohammad N. Alomary, Saad Alghamdi, Mazen Almehmadi, Sudarshana Brijesh Singh, Natarajamurthy Shilpa, Mohammed Aiyaz, Nataraj Kalegowda, Ana E. Ledesma & Kestur Nagaraj Amruthesh. (2022) Repositioning Therapeutics for SARS-CoV-2: Virtual Screening of Plant-based Anti-HIV Compounds as Possible Inhibitors against COVID-19 Viral RdRp. Current Pharmaceutical Design 28:12, pages 969-980.
Crossref
Marina T. Varela, Maiara Amaral, Maiara M. Romanelli, Erica V. de Castro Levatti, Andre G. Tempone & João Paulo S. Fernandes. (2022) Optimization of physicochemical properties is a strategy to improve drug-likeness associated with activity: Novel active and selective compounds against Trypanosoma cruzi. European Journal of Pharmaceutical Sciences 171, pages 106114.
Crossref
Emiliana Echeverría, Sonia Ripoll, Lucas Fabián, Carina Shayo, Federico Monczor & Natalia C. Fernández. (2022) Novel inhibitors of phosphorylation independent activity of GRK2 modulate cAMP signaling. Pharmacology Research & Perspectives 10:2.
Crossref
Ewerton Cristhian Lima de Oliveira, Kauê Santana da Costa, Paulo Sérgio Taube, Anderson H. Lima & Claudomiro de Souza de Sales Junior. (2022) Biological Membrane-Penetrating Peptides: Computational Prediction and Applications. Frontiers in Cellular and Infection Microbiology 12.
Crossref
Sandra Codony, Caterina Pont, Christian Griñán-Ferré, Ania Di Pede-Mattatelli, Carla Calvó-Tusell, Ferran Feixas, Sílvia Osuna, Júlia Jarné-Ferrer, Marina Naldi, Manuela Bartolini, María Isabel Loza, José Brea, Belén Pérez, Clara Bartra, Coral Sanfeliu, Jordi Juárez-Jiménez, Christophe Morisseau, Bruce D. Hammock, Mercè Pallàs, Santiago Vázquez & Diego Muñoz-Torrero. (2022) Discovery and In Vivo Proof of Concept of a Highly Potent Dual Inhibitor of Soluble Epoxide Hydrolase and Acetylcholinesterase for the Treatment of Alzheimer’s Disease. Journal of Medicinal Chemistry 65:6, pages 4909-4925.
Crossref
Ponsiree Jithavech, Piyapan Suwattananuruk, Hasriadi, Chawanphat Muangnoi, Worathat Thitikornpong, Pasarapa Towiwat, Opa Vajragupta & Pornchai Rojsitthisak. (2022) Physicochemical investigation of a novel curcumin diethyl γ-aminobutyrate, a carbamate ester prodrug of curcumin with enhanced anti-neuroinflammatory activity. PLOS ONE 17:3, pages e0265689.
Crossref
Mariko Orioka, Masatoshi Eguchi, Yuki Mizui, Yuma Ikeda, Akihiro Sakama, Qiaojing Li, Hideaki Yoshimura, Takeaki Ozawa, Daniel Citterio & Yuki Hiruta. (2022) A Series of Furimazine Derivatives for Sustained Live-Cell Bioluminescence Imaging and Application to the Monitoring of Myogenesis at the Single-Cell Level. Bioconjugate Chemistry 33:3, pages 496-504.
Crossref
Mambatta Haritha & Cherumuttathu H. Suresh. (2022) Hydration patterns of rings in drugs and relationship to lipophilicity: A DFT study. Journal of Computational Chemistry 43:7, pages 477-490.
Crossref
Hafiza Aliza Khan & Ishrat Jabeen. (2022) Combined Machine Learning and GRID-Independent Molecular Descriptor (GRIND) Models to Probe the Activity Profiles of 5-Lipoxygenase Activating Protein Inhibitors. Frontiers in Pharmacology 13.
Crossref
Tamires L Valverde, Eloísa G Sampiron, Débora C Montaholi, Vanessa P Baldin, Diego DR Insaurralde, Vanessa G Alves-Olher, Vera LD Siqueira, Katiany R Caleffi-Ferracioli, Rosilene F Cardoso, Fábio Vandresen & Regiane BL Scodro. (2022) 3,5-dinitrobenzoylhydrazone derivatives as a scaffold for antituberculosis drug development. Future Microbiology 17:4, pages 267-280.
Crossref
Chrisna Matthee, Gisella Terre’Blanche, Helena D. Janse van Rensburg, Janine Aucamp & Lesetja J. Legoabe. (2021) Chalcone‐inspired r A 1 /A 2A adenosine receptor ligands: Ring closure as an alternative to a reactive substructure . Chemical Biology & Drug Design 99:3, pages 416-437.
Crossref
Fathima Hajee Basha & S.Hemalatha. (2022) Screening the Efficacy of Melatonin on Neurodegeneration Mediated by Endoplasmic Reticulum Stress, Inflammation, and Oxidative Damage. Applied Biochemistry and Biotechnology 194:3, pages 1105-1119.
Crossref
Gideon K. Yawson, Mark F. Will, Samantha E. Huffman, Evan T. Strandquist, Paige J. Bothwell, Ethan B. Oliver, C. Fiore Apuzzo, David C. Platt, Christopher S. Weitzel, Marjorie A. Jones, Gregory M. Ferrence, Christopher G. Hamaker & Michael I. Webb. (2022) A Dual-Pronged Approach: A Ruthenium(III) Complex That Modulates Amyloid-β Aggregation and Disrupts Its Formed Aggregates. Inorganic Chemistry 61:6, pages 2733-2744.
Crossref
Beata Morak-Młodawska & Małgorzata Jeleń. (2022) Lipophilicity and Pharmacokinetic Properties of New Anticancer Dipyridothiazine with 1,2,3-Triazole Substituents. Molecules 27:4, pages 1253.
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Hussam Aly Sayed Murad, Thamer Mohammed Ahmed Alqurashi & Mostafa Aly Hussien. (2022) Interactions of selected cardiovascular active natural compounds with CXCR4 and CXCR7 receptors: a molecular docking, molecular dynamics, and pharmacokinetic/toxicity prediction study. BMC Complementary Medicine and Therapies 22:1.
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Crossref
Abbas Kabir & Aaron Muth. (2022) Polypharmacology: The science of multi-targeting molecules. Pharmacological Research 176, pages 106055.
Crossref
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