[HTML][HTML] Towards understanding aromatase inhibitory activity via QSAR modeling
Aromatase is a rate-limiting enzyme for estrogen biosynthesis that is overproduced in breast
cancer tissue. To block the growth of breast tumors, aromatase inhibitors (AIs) are employed …
cancer tissue. To block the growth of breast tumors, aromatase inhibitors (AIs) are employed …
What in silico molecular docking can do for the 'bench-working biologists'
M Mihăşan - Journal of biosciences, 2012 - Springer
Required by an increasing amount of scientists, the in silico docking field is in full expansion,
new algorithms and methods appearing at an exponential rate. The sheer range of available …
new algorithms and methods appearing at an exponential rate. The sheer range of available …
Molecular docking of aromatase inhibitors
N Suvannang, C Nantasenamat… - Molecules, 2011 - mdpi.com
Aromatase is an enzyme that plays a critical role in the development of estrogen receptor
positive breast cancer. As aromatase catalyzes the aromatization of androstenedione to …
positive breast cancer. As aromatase catalyzes the aromatization of androstenedione to …
Docking and molecular dynamic of microalgae compounds as potential inhibitors of beta-lactamase
Bacterial resistance is responsible for a wide variety of health problems, both in children and
adults. The persistence of symptoms and infections are mainly treated with β-lactam …
adults. The persistence of symptoms and infections are mainly treated with β-lactam …
Synthesis, biological evaluation and 3D-QSAR studies of imidazolidine-2, 4-dione derivatives as novel protein tyrosine phosphatase 1B inhibitors
MY Wang, YY **, HY Wei, LS Zhang, SX Sun… - European Journal of …, 2015 - Elsevier
Protein tyrosine phosphatase 1B (PTP1B) plays a vital role in the regulation of insulin
sensitivity and dephosphorylation of the insulin receptor, so PTP1B inhibitors may be …
sensitivity and dephosphorylation of the insulin receptor, so PTP1B inhibitors may be …
Novel 4-acetamide-2-alkylthio-N-acetanilides resembling nimesulide: Synthesis, cell viability evaluation and in silico studies
M Catarro, J Serrano, E Cavalheiro, S Ramos… - Bioorganic & Medicinal …, 2017 - Elsevier
Since nimesulide, a nonsteroidal anti-inflammatory drug, is known to be a selective inhibitor
of cyclooxygenase-2 and shows activity against cancer cells, there has been much interest …
of cyclooxygenase-2 and shows activity against cancer cells, there has been much interest …
Clashing perspectives: Kantian epistemology and quantum chemistry theory
R Vivas-Reyes - Foundations of Chemistry, 2024 - Springer
In this contribution, the role of epistemology in understanding quantum chemistry is
discussed. Quantum chemistry is the study of the behavior of atoms and molecules using the …
discussed. Quantum chemistry is the study of the behavior of atoms and molecules using the …
In silico design and evaluation of carboxylesterase inhibitors
SV Stoddard, X Yu, PM Potter… - Journal of Pesticide …, 2010 - jstage.jst.go.jp
Carboxylesterases (CEs) are important enzymes that catalyze biological detoxification,
hydrolysis of certain pesticides, and metabolism of many esterified drugs. The development …
hydrolysis of certain pesticides, and metabolism of many esterified drugs. The development …
In silico design of colchicine-based bioisosteric inhibitors of tubulin for the treatment of rheumatoid arthritis
L Wang, HJ Yang, R Tu, M Shen… - Molecular Medicine …, 2017 - spandidos-publications.com
The super-saturation of serum with monosodium urate due to hyperuricemia is the core
metabolic disorder of rheumatoid arthritis. When the serum urate concentration is≥ 7 mg/dl …
metabolic disorder of rheumatoid arthritis. When the serum urate concentration is≥ 7 mg/dl …
CoMFA/CoMSIA and molecular docking studies of novel matrix metalloproteinase-2 inhibitors based on L-tyrosine scaffold
XJ Wang, ZK Dong, SQ Wang, WR Xu… - Letters in Drug …, 2016 - ingentaconnect.com
Our previous studies showed that L-tyrosine derivatives possessed potential inhibitory
activities against matrix metalloproteinase-2 (MMP-2), a target greatly embodied in tumor …
activities against matrix metalloproteinase-2 (MMP-2), a target greatly embodied in tumor …