Results 131 to 140 of about 610,579 (177)

Revealing the potential of Gastrodia elata as a therapeutic candidate for degenerative diseases. [PDF]

J Genet Eng Biotechnol
Chuah JJ, Jehssica Shri M, Shanthakumar B, Venkateskumar K, Sundram K, Parasuraman S.   +5 more
europepmc   +1 more source

Computational Discovery of MERS-CoV Main Protease Inhibitors Through Screening and Molecular Dynamics Simulations. [PDF]

Proteins
Islam SM, Rahman MS, Singla S, Demissie R, Lee H.   +4 more
europepmc   +1 more source

Computational Investigation of Novel pUL56 Ligands Using Docking and Molecular Dynamics with Preliminary Cytotoxicity Evaluation: An Early-Stage Study. [PDF]

Molecules
Feoktistova V, Afolabi SO, Klabukov AM, Shtro AA, Kolobov AV, Baichurin RI, Skorb EV, Shityakov S.   +7 more
europepmc   +1 more source

Repositioning antiviral phytoconstituents as broad-spectrum inhibitors of influenza A neuraminidase and human metapneumovirus fusion protein. [PDF]

PLoS One
Mounadi N, Nour H, El Kouali M, Samadi A, Chtita S.   +4 more
europepmc   +1 more source

Based on artificial intelligence-assisted generation and in-depth in-silico evaluation of potential inhibitors targeting Stearoyl-CoA desaturase 1 (SCD-1). [PDF]

Sci Rep
Wang Q, Deng B, Chen JQ, Jiang H, Liang Z.   +4 more
europepmc   +1 more source

Rational Design of Novel Thiazole-Clubbed Pyrimidine-Linked Hydrazone Conjugates as Promising RSK4 Inhibitors for Esophageal Squamous Cell Carcinoma: Molecular Dynamics Simulations and In Vitro Evaluation. [PDF]

Pharmaceuticals (Basel)
Naeem MU, Naqvi SF, Khan Y, Aslam S, Aminullah S, Khan A, Farghaly TA, Rehman W.   +7 more
europepmc   +1 more source

Novel Pyrazoline Derivatives as Therapeutic Candidate for Alzheimer's Disease: An Integrated Network Pharmacology and 3D-QSAR Modelling. [PDF]

Bioinform Biol Insights
Hossain MM, Singdha TR, Sakib SI, Adhikari J, Choudhury P, Miya MS, Sarker AK, Das M, Shibly AZ.   +8 more
europepmc   +1 more source

Integrated docking-molecular dynamics, ADME-toxicity profiling, and transcriptomic validation identify oroxylin a as a TLR7-targeting flavonoid candidate in systemic lupus erythematosus. [PDF]

Front Chem
Albarrak N, Albjeedi H, Kamal E, Aldawsari MF, Altayb HN, Moglad E.   +5 more
europepmc   +1 more source

Synthesis and evaluation of vanillin-based sulfonates as potent α-glucosidase inhibitors through in vitro, in vivo, and in silico approaches. [PDF]

Sci Rep
Essid M, Mughal EU, Naeem N, Cheema AS, Shakoor B, Ahmed I, Marais C, Sadiq A, Al Nami SY, Hossan A.   +9 more
europepmc   +1 more source

The toxicity of psychedelic LSD derivatives: 1-acetyl-LSD (ALD-52), 1-propionyl-LSD (1P-LSD), 1-butyryl-LSD (1B-LSD), 1-valeryl-LSD (1V-LSD) and 1-cyclopropylmethanoyl-LSD (1cP-LSD)-prediction of toxicological parameters relevant to clinical and forensic toxicology using multi-in silico approach. [PDF]

Arch Toxicol
Jurowski K, Krośniak A, Kobylarz D, Fijałkowska O.   +3 more
europepmc   +1 more source