Search Results - "Molecular Modelling"

Phenolic Extracts from Extra Virgin Olive Oils Inhibit Dipeptidyl Peptidase IV Activity: In Vitro, Cellular, and In Silico Molecular Modeling Investigations by Carmen Lammi, Martina Bartolomei, Carlotta Bollati, Lorenzo Cecchi, Maria Bellumori, Emanuela Sabato, Vistoli Giulio, Nadia Mulinacci, Anna Arnoldi

Connect to this object online.

Screening of Novel Antimicrobial Diastereomers of Azithromycin-Thiosemicarbazone Conjugates: A Combined LC-SPE/Cryo NMR, MS/MS and Molecular Modeling Approach by Iva Habinovec, Ivana Mikulandra, Paula Pranjić, Saša Kazazić, Hana Čipčić Paljetak, Antun Barišić, Branimir Bertoša, Mirjana Bukvić, Predrag Novak

Connect to this object online.

Fragment-Based Ligand Discovery Applied to the Mycolic Acid Methyltransferase Hma (MmaA4) from <em>Mycobacterium tuberculosis</em>: A Crystallographic and Molecular Modelling Study by Romain Galy, Stéphanie Ballereau, Yves Génisson, Lionel Mourey, Jean-Christophe Plaquevent, Laurent Maveyraud

Connect to this object online.

Exploring of N-phthalimide-linked 1,2,3-triazole analogues with promising ­anti-SARS-CoV-2 activity: synthesis, biological screening, and molecular modelling studies by Ateyatallah Aljuhani, Mosa Alsehli, Mohamed A. Seleem, Shaya Y. Alraqa, Hany E. A. Ahmed, Nadjet Rezki, Mohamed R. Aouad

Connect to this object online.

Synthesis, biological evaluation, and molecular modelling of new naphthalene-chalcone derivatives as potential anticancer agents on MCF-7 breast cancer cells by targeting tubulin colchicine binding site by Guangcheng Wang, Wenjing Liu, Zipeng Gong, Yong Huang, Yongjun Li, Zhiyun Peng

Connect to this object online.

Targeting small druggable compounds against 3RZE histamine H1 receptor as potential of anti-allergic drug applying molecular modeling approach by Adeel Akram, Chia-Hung Su, Chun-Chong Fu

Connect to this object online.

Inclusion of a Phytomedicinal Flavonoid in Biocompatible Surface-Modified Chylomicron Mimic Nanovesicles with Improved Oral Bioavailability and Virucidal Activity: Molecular Modeling and Pharmacodynamic Studies by Mohamed Y. Zakaria, Paris E. Georghiou, Joseph H. Banoub, Botros Y. Beshay

Connect to this object online.

Proliferative epithelial changes in tumour adjacent tissue in Sri Lankan women with breast carcinoma: do morphological changes support molecular models of breast carcinogenesis? by Indumini Maheshika Jinadasa, Harshima Disvini Wijesinghe, Modini Manohari Abeydera Jayawickrama, Menaka Dilani Samarawickrama Lokuhetty

Connect to this object online.

In silico prediction, molecular modeling, and dynamics studies on the targeted next-generation sequencing identified genes underlying congenital heart disease in Down syndrome patients by Fiona Hannah Carlus, L Balasubramaniam Sujatha, Anbazhagan Ganesh Kumar, Lakshmanan Loganathan, Karthikeyan Muthusamy, Silas Justin Carlus

Connect to this object online.

Identification and characterization of loop7 motif and its role in regulating biological function of human APOBEC3G through molecular modeling and biological assay by Congjie Zhai, Ling Ma, Zhixin Zhang, Jiwei Ding, Jing Wang, Yongxin Zhang, Xiaoyu Li, Fei Guo, Liyan Yu, Jinming Zhou, Shan Cen

Connect to this object online.

In vitro anticancer potentiality and molecular modelling study of novel amino acid derivatives based on N1,N3-bis-(1-hydrazinyl-1-oxopropan-2-yl) isophthalamide by Asmaa F. Kassem, Gaber O. Moustafa, Eman S. Nossier, Hemat S. Khalaf, Marwa M. Mounier, Suliman A. Al-Yousef, Sabry Y. Mahmoud

Connect to this object online.

Remdesivir Strongly Binds to RNA-Dependent RNA Polymerase, Membrane Protein, and Main Protease of SARS-CoV-2: Indication From Molecular Modeling and Simulations by Faez Iqbal Khan, Tongzhou Kang, Haider Ali, Dakun Lai

Connect to this object online.

In vitro anti-diabetic activity, bioactive constituents, and molecular modeling studies with sulfonylurea receptor1 for insulin secretagogue activity of seed extract of Syzygium cumini (L.) by Meharban Assan Aliyar, Pratibha Nadig, Nagakumar Bharatham

Connect to this object online.

Navigating bioactivity space in anti-tubercular drug discovery through the deployment of advanced machine learning models and cheminformatics tools: a molecular modeling based retrospective study by Ratul Bhowmik, Ravi Kant, Ajay Manaithiya, Daman Saluja, Bharti Vyas, Ranajit Nath, Kamal A. Qureshi, Seppo Parkkila, Seppo Parkkila, Ashok Aspatwar

Connect to this object online.

"Dual Anta-Inhibitors" of the A_2A Adenosine Receptor and Casein Kinase CK1delta: Synthesis, Biological Evaluation, and Molecular Modeling Studies by Andrea Spinaci, Michela Buccioni, Daniela Catarzi, Chang Cui, Vittoria Colotta, Diego Dal Ben, Eleonora Cescon, Beatrice Francucci, Ilenia Grieco, Catia Lambertucci, Gabriella Marucci, Davide Bassani, Matteo Pavan, Flavia Varano, Stephanie Federico, Giampiero Spalluto, Stefano Moro, Rosaria Volpini

Connect to this object online.

Formulation of next-generation polyvalent vaccine candidates against three important poxviruses by targeting DNA-dependent RNA polymerase using an integrated immunoinformatics and molecular modeling approach by Anuj Kumar, Mansi Dutt, Budheswar Dehury, Gustavo Sganzerla Martinez, Krishna Pal Singh, David J. Kelvin

Connect to this object online.

Erratum: Remdesivir strongly binds to RNA-dependent RNA polymerase, membrane protein, and main protease of SARS-CoV-2: Indication from molecular modeling and simulations by Frontiers Production Office

Connect to this object online.

Journey on VX-809-Based Hybrid Derivatives towards Drug-like F508del-CFTR Correctors: From Molecular Modeling to Chemical Synthesis and Biological Assays by Alice Parodi, Giada Righetti, Emanuela Pesce, Annalisa Salis, Valeria Tomati, Cristina Pastorino, Bruno Tasso, Mirko Benvenuti, Gianluca Damonte, Nicoletta Pedemonte, Elena Cichero, Enrico Millo

Connect to this object online.

A PRISMA-Driven Systematic Review of Predictive Equations for Assessing Fat and Fat-Free Mass in Healthy Children and Adolescents Using Multicomponent Molecular Models as the Reference Method by Analiza M. Silva, David A. Fields, Luís B. Sardinha

Connect to this object online.

Philosophy of Astrophysics Stars, Simulations, and the Struggle to Determine What is Out There /

Subjects: “…Molecular Modelling.…”
Link to Metadata