Oncogenic protein interfaces: small molecules, big challenges
Historically, targeting protein–protein interactions with small molecules was not thought
possible because the corresponding interfaces were considered mostly flat and featureless …
possible because the corresponding interfaces were considered mostly flat and featureless …
Mutational signatures are jointly shaped by DNA damage and repair
NV Volkova, B Meier, V González-Huici… - Nature …, 2020 - nature.com
Cells possess an armamentarium of DNA repair pathways to counter DNA damage and
prevent mutation. Here we use C. elegans whole genome sequencing to systematically …
prevent mutation. Here we use C. elegans whole genome sequencing to systematically …
Folate-targeted curcumin-loaded niosomes for site-specific delivery in breast cancer treatment: In silico and In vitro study
B Honarvari, S Karimifard, N Akhtari, M Mehrarya… - Molecules, 2022 - mdpi.com
As the most common cancer in women, efforts have been made to develop novel
nanomedicine-based therapeutics for breast cancer. In the present study, the in silico …
nanomedicine-based therapeutics for breast cancer. In the present study, the in silico …
Computational prediction models for assessing endocrine disrupting potential of chemicals
Endocrine disrupting chemicals (EDCs) mimic natural hormones and disrupt endocrine
function. Humans and wildlife are exposed to EDCs might alter endocrine functions through …
function. Humans and wildlife are exposed to EDCs might alter endocrine functions through …
Computational Tool for Fast in silico Evaluation of hERG K+ Channel Affinity
The development of a novel comprehensive approach for the prediction of h ERG activity is
herein presented. Software Phase has been used to derive a 3D-QSAR model, employing …
herein presented. Software Phase has been used to derive a 3D-QSAR model, employing …
Pharmacophore mapping-based virtual screening followed by molecular docking studies in search of potential acetylcholinesterase inhibitors as anti-Alzheimer's …
Alzheimer's disease (AD) is turning out to be one of the lethal diseases in older people.
Acetylcholinesterase (AChE) is a crucial target in designing of drugs against AD. The …
Acetylcholinesterase (AChE) is a crucial target in designing of drugs against AD. The …
Molecular modeling, quantum polarized ligand docking and structure-based 3D-QSAR analysis of the imidazole series as dual AT1 and ETA receptor antagonists
KD Singh, K Muthusamy - Acta Pharmacologica Sinica, 2013 - nature.com
Aim: Both endothelin ET A receptor antagonists and angiotensin AT 1 receptor antagonists
lower blood pressure in hypertensive patients. A dual AT 1 and ET A receptor antagonist …
lower blood pressure in hypertensive patients. A dual AT 1 and ET A receptor antagonist …
Multiple virtual screening strategies for the discovery of novel compounds active against dengue virus: A hit identification study
K Hengphasatporn, A Garon, P Wolschann… - Scientia …, 2020 - mdpi.com
Dengue infection is caused by a mosquito-borne virus, particularly in children, which may
even cause death. No effective prevention or therapeutic agents to cure this disease are …
even cause death. No effective prevention or therapeutic agents to cure this disease are …
Assessment of dual inhibition property of newly discovered inhibitors against PCAF and GCN5 through in silico screening, molecular dynamics simulation and DFT …
V Suryanarayanan, SK Singh - Journal of Receptors and Signal …, 2015 - Taylor & Francis
Abstract p300/CBP-associated factor (PCAF) is one among the histone acetyltransferase
(HAT) family enzymes. It is involved in the regulation of transcription by modifying the …
(HAT) family enzymes. It is involved in the regulation of transcription by modifying the …
A Chemical–Biological Study Reveals C9-type Iridoids as Novel Heat Shock Protein 90 (Hsp90) Inhibitors
The potential of heat shock protein 90 (Hsp90) as a therapeutic target for numerous
diseases has made the identification and optimization of novel Hsp90 inhibitors an …
diseases has made the identification and optimization of novel Hsp90 inhibitors an …