Results 151 to 160 of about 41,275 (293)

Covalent drug discovery: Progress against key targets, emerging strategies and lessons learnt

British Journal of Pharmacology, EarlyView.
Abstract Covalent drug discovery is currently experiencing a boom in industrial and academic interest. To date, at least 75 covalent drugs have received regulatory approval, targeting both traditional target classes and more challenging proteins for which other approaches failed. In many cases, unique aspects of covalent targeting are essential for the
Charles P. Brown, Alan Armstrong, David J. Mann   +2 more
wiley   +1 more source

Ligand-based pharmacophore modeling for the discovery of Na_V1.7 inhibitors. [PDF]

J Comput Aided Mol Des
Piga M, Lukacs P, Pesti K, Várady G, Varga Z, Zidar N, Tomašič T.   +6 more
europepmc   +1 more source

The discovery and development of ensifentrine: A novel inhaled dual PDE3/4 inhibitor having ‘bifunctional’ bronchodilator and anti‐inflammatory activity

British Journal of Pharmacology, EarlyView.
Abstract Ensifentrine (formerly called RPL 554) is a novel, first in class, inhaled bifunctional dual PDE3/4 inhibitor for the treatment of chronic respiratory diseases. Ensifentrine exhibits both bronchodilation via PDE3 inhibition and anti‐inflammatory activity via PDE4 inhibition.
Clive Page
wiley   +1 more source

Acute Myeloid Leukemia(AML) proteins for in silico drug design using pharmacophore modeling, molecular docking and molecular dynamics simulation. [PDF]

PLoS One
Bosu P, Adhikary T, Rafi AS, Iqbal N, Rasool F, Ahmed P.   +5 more
europepmc   +1 more source

Selective modulation of NaV channel gating counteracts aberrant hyperexcitability and rescues motor function and survival in a model of spinal muscular atrophy

British Journal of Pharmacology, EarlyView.
Background and Purpose Spinal muscular atrophy (SMA) is a motor neuron disease caused by SMN1 gene loss, leading to reduced survival motor neuron (SMN) protein and progressive motor neuron degeneration. Although SMN‐restoring therapies improve outcomes, residual disease burden and non‐curative efficacy underscore the need for complementary treatments ...
Fernanda C. Cardoso, Jessica A. I. Muller, Yougang Zhang, Jean Giacomotto   +3 more
wiley   +1 more source

In silico pipeline for GSK 3β inhibitor discovery in Alzheimer's disease using pharmacophore screening, docking, ADME filtering, and MD validation. [PDF]

Sci Rep
Elkotamy MS, Elgohary MK, Alkotami AS, Eldesouki MM, Elsayed ZM, Mattar AA, Abo-Ashour MF, Tawfik HO, Eldehna WM, Abdel-Aziz HA.   +9 more
europepmc   +1 more source

Natural product‐derived TRPM7 channel inhibitors in neurological injury: Mechanisms, pharmacological potential and translational challenges

British Journal of Pharmacology, EarlyView.
Disruption of intracellular ionic homeostasis is a convergent pathological feature across diverse neurological injuries and disorders, including ischaemic and haemorrhagic stroke, hypoxic–ischaemic brain injury, traumatic brain injury, epilepsy and brain tumour.
Xinyang Zhang, Hio Lam Ho, F. David Horgen, Andrea Fleig, Zhong‐Ping Feng, Hong‐Shuo Sun   +5 more
wiley   +1 more source

Integrated experimental and computational evaluation of atractylenolide III from Tubipora musica for anticancer lead identification. [PDF]

Sci Rep
Noreldeen HAA.
europepmc   +1 more source

PEG400 regulates Falcipain 2 activity through an allosteric mechanism

The FEBS Journal, EarlyView.
Falcipain‐2 can potentially be leveraged as a drug target due to its critical role as a haemoglobinase during the intra‐erythrocytic stage of Plasmodium falciparum. Here, we investigate the regulation of the proteolytic and haemoglobinase activity of falcipain‐2 in the presence of polyethylene glycol.
Bikram Nath, Subhoja Chakraborty, Sampa Biswas   +2 more
wiley   +1 more source

Building structure activity relationships to avoid toxicity due to unwanted central nervous system ion channel activity. [PDF]

Toxicol Sci
Zolkiewski LAK, Rockley KL, Roberts RA, Jennings HG, Maizières MA, Jones K, McDonagh JL, Newman K, Griffen EJ, Stacey JE, Morton MJ.   +10 more
europepmc   +1 more source