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Identification of selective mtbDHFR inhibitors by virtual screening and experimental approaches
Identification of selective mtbDHFR inhibitors by virtual screening and experimental approaches
Abstract mtbDHFR targeting inhibition has become a promising approach for tuberculosis treatment. In the current research,...
Identification of Novel Nematode SDH Inhibitors: Virtual Screening Based on Ligand‐Pocket Interactions
Identification of Novel Nematode SDH Inhibitors: Virtual Screening Based on Ligand‐Pocket Interactions
ABSTRACT To discover new nematicidal succinate dehydrogenase (SDH) inhibitors with novel structures, we conducted a virtua...
Study the mechanism of peimisine derivatives on NF‐κB inflammation pathway on mice with acute lung injury induced by lipopolysaccharide
Study the mechanism of peimisine derivatives on NF‐κB inflammation pathway on mice with acute lung injury induced by lipopolysaccharide
Abstract Peimisine is one of the alkaloids in Fritillariae ussuriensis Bulbus, which has anti-acute lung injury effect. In...
Structure‐activity trend analysis between amino‐acids and minimal inhibitory concentration of antimicrobial peptides
Structure‐activity trend analysis between amino‐acids and minimal inhibitory concentration of antimicrobial peptides
Abstract Antimicrobial peptides (AMPs) provide large structural libraries of molecules with high variability of constituti...
Antitrypanosomal activity of new semi‐synthetic bergenin derivatives
Antitrypanosomal activity of new semi‐synthetic bergenin derivatives
Abstract Bergenin and 11-O-(4'-O-methyl galloyl)-bergenin, previously isolated from Crassula capitella extract, were used ...
Discovery of a novel and orally active Farnesoid X receptor agonist for the protection of acetaminophen‐induced hepatotoxicity
Discovery of a novel and orally active Farnesoid X receptor agonist for the protection of acetaminophen‐induced hepatotoxicity
Abstract Acetaminophen (APAP) overdose is a leading cause of acute hepatic failure and liver transplantation, while the ex...
Structure‐based discovery of (S)‐2‐amino‐6‐(4‐fluorobenzyl)‐5,6,11,11a‐tetrahydro‐1H‐imidazo[1',5':1,6]pyrido[3,4‐b]indole‐1,3(2H)‐dione as low nanomolar, orally bioavailable autotaxin inhibitor
Structure‐based discovery of (S)‐2‐amino‐6‐(4‐fluorobenzyl)‐5,6,11,11a‐tetrahydro‐1H‐imidazo[1',5':1,6]pyrido[3,4‐b]indole‐1,3(2H)‐dione as low nanomolar, orally bioavailable autotaxin inhibitor
Abstract Inhibition of extracellular secreted enzyme autotaxin (ATX) represents an attractive strategy for the development...
Design, Synthesis and Molecular Modeling of Quinoline Based Derivatives as Anti‐Breast Cancer Agents Targeting EGFR/AKT Signaling Pathway
Design, Synthesis and Molecular Modeling of Quinoline Based Derivatives as Anti‐Breast Cancer Agents Targeting EGFR/AKT Signaling Pathway
Abstract Two series of quinoline-thiazole and quinoline-thiazolidinone hybrids were designed, synthesized and evaluated fo...
Some important inhibitors and mechanisms of rheumatoid arthritis
Some important inhibitors and mechanisms of rheumatoid arthritis
Abstract Rheumatoid arthritis is a chronic disease that seriously affects human health and quality of life, and it is one ...
Synthesis and biological activities of butyrylcholinesterase inhibitors
Synthesis and biological activities of butyrylcholinesterase inhibitors
Abstract Acetylcholinesterase (AChE) inhibitor is the first choice for the treatment of Alzheimer's disease (AD), but it h...
Discovery of a novel and orally active FXR agonist for the protection of APAP‐induced hepatotoxicity
Discovery of a novel and orally active FXR agonist for the protection of APAP‐induced hepatotoxicity
Abstract Acetaminophen (APAP) overdose is a leading cause of acute hepatic failure and liver transplantation, while the ex...
Study the Mechanism of Peimisine Derivatives on NF‐κB Inflammation Pathway on Mice with Acute Lung Injury Induced by LPS
Study the Mechanism of Peimisine Derivatives on NF‐κB Inflammation Pathway on Mice with Acute Lung Injury Induced by LPS
Abstract Peimisine is one of the alkaloids in Fritillariae ussuriensis Bulbus, which has anti-acute lung injury effect. In...
Radiolabeling, characterization and preclinical evaluation of plazomicin: a potential tracer for bacterial infection
Radiolabeling, characterization and preclinical evaluation of plazomicin: a potential tracer for bacterial infection
Abstract In this study, 99mTc–plazomicin, a new radio-antibiotic complex, was prepared specifically for bacterial i...
Impact of different protonation states on virtual screening performance against cruzain
Impact of different protonation states on virtual screening performance against cruzain
Abstract The cysteine protease cruzain is a Chagas disease target, exploited in computational studies. However, there is n...
Dimerization of 600 Da Branched Polyethyleneimine Improves β‐lactam Antibiotic Potentiation against Antibiotic Resistant Staphylococcus epidermidis and Pseudomonas aeruginosa
Dimerization of 600 Da Branched Polyethyleneimine Improves β‐lactam Antibiotic Potentiation against Antibiotic Resistant Staphylococcus epidermidis and Pseudomonas aeruginosa
Abstract Antibiotic resistance is a growing concern in the medical field. Drug susceptible infections are often treated wi...
Identification of Tripeptides against Tyrosine Kinase Domain of EGFR for Lung Cancer Cell Inhibition by In silico and In vitro Studies
Identification of Tripeptides against Tyrosine Kinase Domain of EGFR for Lung Cancer Cell Inhibition by In silico and In vitro Studies
Abstract Epidermal growth factor receptor tyrosine kinase domain (EGFR-TK) has been one of the prominent targets for thera...
Discovery of novel Ketamine‐inspired derivatives as a protective agent against renal ischemic/reperfusion injury in Wistar rats
Discovery of novel Ketamine‐inspired derivatives as a protective agent against renal ischemic/reperfusion injury in Wistar rats
Abstract Renal ischemia-reperfusion (I/R) injury is a limiting factor for the success of renal grafts and is deemed greatl...
Synthesis of Ring‐opening of Evodiamine Derivatives and Evaluation on Their Biological Activity
Synthesis of Ring‐opening of Evodiamine Derivatives and Evaluation on Their Biological Activity
Abstract As a main bioactive component extracted from Evodiae fructus, evodiamine has a variety of pharmacological activit...
Development of chimeric receptor activator of nuclear factor‐kappa B with glutathione S‐transferase in the extracellular domain: Artificial switch in a membrane receptor
Development of chimeric receptor activator of nuclear factor‐kappa B with glutathione S‐transferase in the extracellular domain: Artificial switch in a membrane receptor
Abstract Various chimeric receptors have been developed and used for biological experiments. In the present study, we cons...
Pyrimidine: An elite heterocyclic leitmotif in drug discovery‐synthesis and biological activity
Pyrimidine: An elite heterocyclic leitmotif in drug discovery‐synthesis and biological activity
Abstract Heterocyclic compounds bearing the pyrimidine core are of tremendous interest as they constitute an important cla...
Active site‐based analysis of structural proteins for drug targets in different human Coronaviruses
Active site‐based analysis of structural proteins for drug targets in different human Coronaviruses
ABSTRACT Seven types of Coronaviruses (CoVs) have been identified that can cause infection in humans, including HCoV-229E,...
Irreversible inhibitors of the proline racemase (PRAC) unveil innovative mechanism of action as antibacterial against Clostridioides difficile
Irreversible inhibitors of the proline racemase (PRAC) unveil innovative mechanism of action as antibacterial against Clostridioides difficile
Abstract Proline racemases (PRAC), catalyzing the L-proline and D-proline interconversion, are essential factors in eucary...
The Multiple Function of lncRNA MALAT1 in Cancer Occurrence and Progression
The Multiple Function of lncRNA MALAT1 in Cancer Occurrence and Progression
Abstract Long non-coding RNAs (lncRNAs) have received particular attention in the last decade due to its engaging in carci...
Development of chimeric RANK with GST in the extracellular domain: Artificial switch in a membrane receptor
Development of chimeric RANK with GST in the extracellular domain: Artificial switch in a membrane receptor
Abstract Various chimeric receptors have been developed and used for biological experiments. In the present study, we cons...
Bioisosteric modification on benzylidene‐carbonyl compounds improved the drug‐likeness and maintained the antifungal activity against Sporothrix brasiliensis
Bioisosteric modification on benzylidene‐carbonyl compounds improved the drug‐likeness and maintained the antifungal activity against Sporothrix brasiliensis
Abstract Considering the emergence of antifungal resistance on Sporothrix brasiliensis, we aimed to assess new benzylidene...
Chalcone‐inspired rA1/A2A adenosine receptor ligands: ring closure as an alternative to a reactive substructure
Chalcone‐inspired rA1/A2A adenosine receptor ligands: ring closure as an alternative to a reactive substructure
Abstract Over the past few years, great progress has been made in the development of high-affinity adenosine A1 and/or A2A...
Synthesis and antiviral activity of 2′‐deoxy‐6′‐substituted carbocyclic nucleosides
Synthesis and antiviral activity of 2′‐deoxy‐6′‐substituted carbocyclic nucleosides
Abstract A series of 2'-deoxy carbocyclic nucleosides characterized by various 6'-substitutions were synthesized and evalu...
Synthesis and biological evaluation of novel 5,6‐dihydrobenzo[h]quinazoline derivatives as FLT3 inhibitors
Synthesis and biological evaluation of novel 5,6‐dihydrobenzo[h]quinazoline derivatives as FLT3 inhibitors
Abstract Fms-like tyrosine kinase 3 (FLT3) is widely expressed and often mutated in acute myeloid leukemia (AML), which ma...
The role of FoxO1 and its modulation with small molecules in the development of diabetes mellitus: A review
The role of FoxO1 and its modulation with small molecules in the development of diabetes mellitus: A review
Abstract Diabetes mellitus type 2 (T2D) is one of the metabolic disorders suffered by a global human being. Certain factor...
Theoretical study of Myriocin binding mechanism targeting Serine Palmitoyltransferase
Theoretical study of Myriocin binding mechanism targeting Serine Palmitoyltransferase
Abstract Sphingolipids (SLs) are vital for cells as forming membrane and transducing signals. The first step for de novo b...
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