Results 101 to 110 of about 1,944,029 (193)

Really Drug-Like Molecules

, 2011
The idea of drug-likeness is pervasive in pharmaceutical research. Although it has its place, the concept can also be twisted to provide cover in the absence of other data. After all, what in the world does 'drug-like' actually mean? One place to look for meaning in the term 'drug-like' is with, well, drugs!
openaire   +1 more source

In silico drug-likeness of steroidal thiazolidin-4-ones [PDF]

In silico assessment of drug-likeness of 15 steroidal mono- and bis-thiazolidinones was performed. Androstrane (1−5) and progesterone types (6) mono-derivatives had no violations of Lipinski’s rule of five, while bis-derivatives had slightly higher ...
Šegan, Sandra, Tufegdžić, Srđan, Đorđević, Neda, Živković, Marijana, Sladić, Dušan   +4 more
core   +1 more source

Antibacterial Potential of Ximenia americana L. Olacaceae: Molecular Docking, Molecular Dynamics, and ADMET Prediction

Journal of Pharmacy
Introduction:  The devastating effect of persistent and recurrent bacterial infections coupled with antibiotic resistance is a driving force for prospects into alternative antibacterial therapeutics to achieve treatment.
Mubarak Muhammad Dahiru, Abdulazeez Mumsiri Abaka, Ibrahim Ya'u   +2 more
doaj   +1 more source

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

In Silico ADMET Analysis of Turmeric Compounds for Drug Likeness [PDF]

Turmeric, a well-known natural remedy, has garnered attention for its potential therapeutic properties. In this study, we conducted an In silico Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) analysis to assess the drug likeness of
Dr. Gurinderdeep Singh, Tanmay Khullar
core   +1 more source

Receptor residence time trumps drug-likeness and oral bioavailability in determining efficacy of complement C5a antagonists

, 2016
Drug discovery and translation are normally based on optimizing efficacy by increasing receptor affinity, functional potency, drug-likeness (rule-of-five compliance) and oral bioavailability.
Stoermer, Martin J., Seow, Vernon, Lohman, Rink-Jan, Kok, W. Mei, Cotterell, Adam J., Reid, Robert C., Farilie, David P., Suen, Jacky Y., Yau, Mei-Kwan, Sweet, Matthew J., Lim, Junxian, Xu, Weijun   +11 more
core   +1 more source

Rational design and synthesis of novel diphenyl ether derivatives as antitubercular agents

Drug Design, Development and Therapy, 2016
Sidhartha S Kar,1 Varadaraj Bhat G,1 Praveen PN Rao,2 Vishnu P Shenoy,3 Indira Bairy,4 G Gautham Shenoy1 1Department of Pharmaceutical Chemistry, Manipal College of Pharmaceutical Sciences, Manipal University, Manipal, India; 2School of Pharmacy, Health
Kar SS, Bhat G V, Rao PP, Shenoy VP, Bairy I, Shenoy GG   +5 more
doaj  

Biological Activities and Drug-Likeness Properties of Phenol-Based Heterocyclic Compounds

The widespread use of small molecules having heterocyclic rings to design anticancer agents, and the antioxidant potential of their phenolic conjugates led us to investigate phenol-based heterocyclic compounds’ anticancer, antioxidant activities, and ...
Sakarya, Mehtap Tugrak, NENNİ, MERVE, Sakagami, Hiroshi, GÜL, Halise İnci, YAMALI, CEM   +4 more
core   +1 more source

The Human ADME Score: A Quantitative Metric of Drug-likeness for Orally Administered Compounds

Quantitative assessment of ADME-related drug-likeness remains challenging as small-molecule drug discovery expands into larger and more complex chemical space. We hypothesized that drug-likeness for orally administered compounds is best quantified at the
Davide Bassani, Leonid Komissarov, Janneke Keemink, Sara Bettonte, Nenad Manevski   +4 more
core   +1 more source

Novel Thiochroman-4-One Derivatives Bearing a Sulfonyl Hydrazone Moiety: Synthesis, Bioactivity, Molecular Simulation, and Drug-Likeness Evaluation. [PDF]

Chem Biodivers
Li P, Pan W, Zhuang T, Wang X.
europepmc   +1 more source