Results 31 to 40 of about 3,066,996 (254)

The efficiency of multi-target drugs: the network approach might help drug design

, 2005
Despite considerable progress in genome- and proteome-based high-throughput screening methods and rational drug design, the number of successful single target drugs did not increase appreciably during the past decade.
Agoston, Vilmos, Csermely, Peter, Pongor, Sandor   +2 more
core   +1 more source

Discovery of N-benzyl hydroxypyridone carboxamides as a novel and potent antiviral chemotype against human cytomegalovirus (HCMV)

Acta Pharmaceutica Sinica B, 2022
Current drugs for treating human cytomegalovirus (HCMV) infections are limited by resistance and treatment-associated toxicities. In developing mechanistically novel HCMV antivirals, we discovered an N-benzyl hydroxypyridone carboxamide antiviral hit (8a)
Sameera Senaweera, Tiffany C. Edwards, Jayakanth Kankanala, Yan Wang, Rajkumar Lalji Sahani, Jiashu Xie, Robert J. Geraghty, Zhengqiang Wang   +7 more
doaj   +1 more source

Simple models of protein folding and of non--conventional drug design [PDF]

, 2004
While all the information required for the folding of a protein is contained in its amino acid sequence, one has not yet learned how to extract this information to predict the three--dimensional, biologically active, native conformation of a protein ...
Abkkevich V I, Anfinsen C B, Broglia R A Shakhnovich E I Tiana G, Brooks B R, Bryngelson J D, Bryngelson J D, D Provasi, Derrida B, Fersht A, Flory P J, G Tiana, Go N, Hänggi P, Itzhaki L S, Kramers H A, Lau K F, Metropolis N, Mezard M, Miyazawa S, Orland H, R A Broglia, Rost B, Shakhnovich E I, Smith H, Toulouse G, van Kampen N G   +25 more
core   +1 more source

Akt1 inhibition promotes breast cancer metastasis through EGFR-mediated β-catenin nuclear accumulation

Cell Communication and Signaling, 2018
Background Knockdown of Akt1 promotes Epithelial-to-Mesenchymal Transition in breast cancer cells. However, the mechanisms are not completely understood.
Wei Li, Jiu-Zhou Hou, Jie Niu, Zhuo-Qing Xi, Chang Ma, Hua Sun, Chao-Jie Wang, Dong Fang, Qin Li, Song-Qiang Xie   +9 more
doaj   +1 more source

Mining Frequency of Drug Side Effects Over a Large Twitter Dataset Using Apache Spark [PDF]

, 2017
Despite clinical trials by pharmaceutical companies as well as current FDA reporting systems, there are still drug side effects that have not been caught. To find a larger sample of reports, a possible way is to mine online social media. With its current
Hsu, Dennis
core   +3 more sources

Non-bisphosphonate inhibitors of isoprenoid biosynthesis identified via computer-aided drug design. [PDF]

, 2011
The relaxed complex scheme, a virtual-screening methodology that accounts for protein receptor flexibility, was used to identify a low-micromolar, non-bisphosphonate inhibitor of farnesyl diphosphate synthase.
Cao, Rong, Durrant, Jacob D, Gorfe, Alemayehu A, Li, Jikun, McCammon, J Andrew, Oldfield, Eric, Sankovsky, Anna, Zhu, Wei   +7 more
core   +2 more sources

Drug design and in-silico study of 2-alkoxylatedquinoline-3-carbaldehyde compounds: Inhibitors of Mycobacterium tuberculosis

Scientific African
Tuberculosis (TB) caused by Mycobacterium tuberculosis (MTB) is a deadly communicable disease that frequently affects the lungs. Current treatment protocols are bedeviled by extensive drug-resistant (XDR) and the evolution of multidrug-resistant (MDR-TB)
Oluwafemi S. Aina, Mujeeb O. Rofiu, Oluwakemi A. Oloba-Whenu, Idris A. Olasupo, Luqman A. Adams, Oluwole B. Familoni   +5 more
doaj   +1 more source

Stapled Peptides Inhibitors: A New Window for Target Drug Discovery

Computational and Structural Biotechnology Journal, 2019
Protein-protein interaction (PPI) is a hot topic in clinical research as protein networking has a major impact in human disease. Such PPIs are potential drugs targets, leading to the need to inhibit/block specific PPIs.
Ameena M. Ali, Jack Atmaj, Niels Van Oosterwijk, Matthew R. Groves, Alexander Dömling   +4 more
doaj   +1 more source

Controlled Release Bilayer Floating Effervescent and Noneffervescent Tablets Containing Levofloxacin and Famotidine

International Journal of Polymer Science
The present study is aimed at designing bilayer-floating tablets to improve the drug concentration in the stomach for enhanced therapeutic efficacy. The tablets are comprised of an upper layer of levofloxacin (466.5 mg) and a lower layer of famotidine ...
Muhammad Tufail, Kifayat Ullah Shah, Ikram Ullah Khan, Kamran Ahmad Khan, Shefaat Ullah Shah, Faisal Rashid, Jahangir Khan, Abdulrahman Alshammari, Abdullah F. Alasmari, Muhammad Shahid Riaz   +9 more
doaj   +1 more source

Rational Drug Design Rational Drug Design

, 2017
For the past three decades rationale drug design (RDD) has been developing as an innovative, rapid and successful way to discover new drug candidates. Many strategies have been followed and several targets with diverse structures and different biological roles have been investigated. Despite the variety of computational tools available, one can broadly
Khaled H. Barakat, Michael Houghton, D. Lorne Tyrrel, Jack A. Tuszynski   +3 more
openaire   +1 more source