Journal of Enzyme Inhibition and Medicinal Chemistry

Article	Citations
Different chemical proteomic approaches to identify the targets of lapatinib	98
Development of eugenol derivatives with 5-LOX inhibitory activity	80
Design, synthesis, and evaluation of 1, 3-dioxo- N- phenylisoindoline-5-carboxamide derivatives as potent reversible inhibitors of human monoamine oxidas	73
Discovery of 2-phenylethyl chromones as potent and selective CYP1B1 inhibitors	72
Recombinant ferritins for multimodal nanomedicine	72
Discovery and SAR analysis of phenylbenzo[d][1,3]dioxole-based proprotein convertase subtilisin/kexin type 9 inhibitors	68
4-Cyanamidobenzenesulfonamide derivatives: a novel class of human and bacterial carbonic anhydrase inhibitors	67
Synthesis, biological evaluation, and in silico studies of new CDK2 inhibitors based on pyrazolo[3,4- d ]p	64
Towards safer anti-inflammatory therapy: synthesis of new thymol–pyrazole hybrids as dual COX-2/5-LOX inhibitors	60
Development of new thiazolidine-2,4-dione hybrids as aldose reductase inhibitors endowed with antihyperglycaemic activity: design, synthesis, biological investigations, and in s	53
Design, synthesis and antitumor evaluation of novel pyrazolo[3,4- d ]pyrimidines incorporating different amino acid conjugates as potential DHFR inhibito	51
Design, synthesis, and biological evaluation of potent FAK-degrading PROTACs	50
Recent progress in chemistry and bioactivity of monoterpenoid indole alkaloids from the genus gelsemium : a comprehensive review	49
Synthesis, DFT calculations, and anti-proliferative evaluation of pyrimidine and selenadiazolopyrimidine derivatives as dual Topoisomerase II and HSP90 inhibitors	48
Myeloperoxidase as a therapeutic target for oxidative damage in Alzheimer’s disease	47
Novel harmine derivatives as potent acetylcholinesterase and amyloid beta aggregation dual inhibitors for management of Alzheimer’s disease	47
Promising inhibition of diabetes-related enzymes and antioxidant properties of Ptilostemon casabonae leaves extract	46
Natural product sennoside B disrupts liquid-liquid phase separation of SARS-CoV-2 nucleocapsid protein by inhibiting its RNA-binding activity	46
Molecular screening of natural compounds targeting KRAS(G12C): a multi-parametric strategy against acute lymphoblastic leukemia	43
Development of novel 9- O -substituted-13-octylberberine derivatives as potential anti-hepatocellular carcinoma agents	43
Identification of a peptide inhibitor disrupting the PCSK9-LDLR interaction via pharmacophore-based virtual screening, molecular dynamics simulations and	43
Identification of novel potent peptide inhibitors targeting the polo-box domain of PLK1: structure-based pharmacophore modelling, virtual screening, molecular docking, molecular dynamics study and bio	42
Investigation of the enantioselectivity of acetylcholinesterase and butyrylcholinesterase upon inhibition by tacrine-iminosugar heterodimers	42
2,5-Dihydroxyphenylethanone: an anti-melanogenic bioactive compound isolated from Ganoderma cochlear	41
Targeting the glutamine-arginine-proline metabolism axis in cancer	41

Discovery of a selective PI3Kα inhibitor via structure-based virtual screening for targeted colorectal cancer therapy	41
Antifungal and anti-biofilm effects of hydrazone derivatives on Candida spp	41
Structure-based design of new potent and highly selective PARP-1 inhibitor for treating colorectal cancer	41
The key enzyme PYCR1 in proline metabolism: a dual driver of cancer progression and fibrotic remodeling	40
Radioiodinated compound FJR01: a novel P2X7R-targeted SPECT tracer for visualizing glioma-associated microglia/macrophages in a rat glioblastoma model	40
Integrating virtual screening and molecular dynamics simulations to identify emodin as a PYCR1 inhibitor modulating docetaxel sensitivity in prostate cancer	39
Synthesis and structure–activity relationships for some novel diflapolin derivatives with benzimidazole subunit	39
3 H -1,2-Benzoxaphosphepine 2-oxides as selective inhibitors of carbonic anhydrase IX and XII	38
Synthesis of novel pyrazole derivatives and neuroprotective effect investigation	38
Development of ketobenzothiazole-based peptidomimetic TMPRSS13 inhibitors with low nanomolar potency	37
Fragment-based design, synthesis and biological evaluation of theophylline derivatives as ATAD2 inhibitors in BT-549 cells	35
Selisistat, a SIRT1 inhibitor, enhances paclitaxel activity in luminal and triple-negative breast cancer: in silico, in vitro, and in vivo studies	35
New imidazole-2-thiones linked to acenaphythylenone as dual DNA intercalators and topoisomerase II inhibitors: structural optimization, docking, and apoptosis studies	35
Identification of sulphonamide-tethered N -((triazol-4-yl)methyl)isatin derivatives as inhibitors of SARS-CoV-2 main protease	34
Design and synthesis of 1,4,8-triazaspiro[4.5]decan-2-one derivatives as novel mitochondrial permeability transition pore inhibitors	34
Anti-obesity carbonic anhydrase inhibitors: challenges and opportunities	33
Identification of new benzimidazole-triazole hybrids as anticancer agents: multi-target recognition, in vitro and in silico	33
Design, synthesis, docking, and anticancer evaluations of new thiazolo[3,2- a ] pyrimidines as topoisomerase II inhibitors	33
Development of potent and effective SARS-CoV-2 main protease inhibitors based on maleimide analogs for the potential treatment of COVID-19	33
GC-MS metabolites profiling of anethole-rich oils by different extraction techniques: antioxidant, cytotoxicity and in-silico enzymes inhibitory insights	33
1,2,3-Benzoxathiazine-2,2-dioxides – effective inhibitors of human carbonic anhydrases	31
Searching for novel MDM2/MDMX dual inhibitors through a drug repurposing approach	30
o-Vanillin binds covalently to MAL/TIRAP Lys-210 but independently inhibits TLR2	30
Challenging the Biginelli scaffold to surpass the first line antitubercular drugs: Mycobacterium tuberculosis thymidine monophosphate kinase (TMPK mt	30
Design, synthesis, apoptotic, and antiproliferative effects of 5-chloro-3- (2-methoxyvinyl)-indole-2-carboxamides and pyrido[3,4-b]indol-1-ones as potent EGFR WT/	30
Structural isomerisation affects the antitubercular activity of adamantyl-isoxyl adducts	29
Crystal structure of ricin toxin A chain complexed with a highly potent pterin-based small-molecular inhibitor	29
Structural comparison of substrate-binding pockets of serine β-lactamases in classes A, C, and D	29
PD-L1 dimerisation induced by biphenyl derivatives mediates anti-breast cancer activity via the non-immune PD-L1–AKT–mTOR/Bcl2 pathway	29
Unveiling the mechanism of action of acylated temporin L analogues against multidrug-resistant Candida albicans	28
Antiglycoxidative properties of amantadine – a systematic review and comprehensive in vitro study	28
Probing mutation-induced conformational transformation of the GTP/M-RAS complex through Gaussian accelerated molecular dynamics simulations	28
Recent progress in discovery of novel AAK1 inhibitors: from pain therapy to potential anti-viral agents	27
Discovery of novel polysubstituted N -alkyl acridone analogues as histone deacetylase isoform-selective inhibitors for cancer therapy	27
Statement of Retraction: Dihydroartemisinin enhances the anti-tumor effect of photodynamic therapy by targeting PKM2-mediated glycolysis in esophageal cancer cell	27
Discovery and characterization of novel hematopoietic prostaglandin D synthase inhibitors from traditional Chinese medicine: the bioactive potential of dihydroberberine in treatments of Duchenne muscu	26
Design and synthesis of some new benzoylthioureido benzenesulfonamide derivatives and their analogues as carbonic anhydrase inhibitors	26
Identification of putative allosteric inhibitors of BCKDK via virtual screening and biological evaluation	26
Design, synthesis, and study of novel phenethyl-based antitumor phospholipids downregulating p38 mitogen-activated protein kinase	26
Exploring covalent inhibitors of SARS-CoV-2 main protease: from peptidomimetics to novel scaffolds	26
Discovery of benzochromene derivatives first example with dual cytotoxic activity against the resistant cancer cell MCF-7/ADR and inhibitory effect of the P	26
Anti-breast cancer sinomenine derivatives via mechanisms of apoptosis induction and metastasis reduction	26
Investigation of exercise-mimetic bioactive molecules as modulators of MMP activity and expression in cancer cells	26
From bench to brain: novel thieno-oxazine hybrids as potent pleiotropic anti-Alzheimer’s agents with in vivo / in vitro	25
Design, synthesis, molecular modelling and antitumor evaluation of S -glucosylated rhodanines through topo II inhibition and DNA intercalation	25
Discovery of selective ACAT2 antagonist via a combination strategy based on deep docking, pharmacophore modelling, and molecular dynamics simulation	24
Discovery of an effective anti-inflammatory agent for inhibiting the activation of NF-κB	23
Design and biological evaluation of substituted 5,7-dihydro-6 H -indolo[2,3- c ]quinolin-6-one as novel se	23
Cadmium inhibits hSMUG1-mediated uracil excision: quantitative analysis and mitigation by Ganoderma lucidum extracts	23
Arctigenin: pharmacology, total synthesis, and progress in structure modification	22

Development of novel anilinoquinazoline-based carboxylic acids as non-classical carbonic anhydrase IX and XII inhibitors	22
Fluorinated indeno-quinoxaline bearing thiazole moieties as hypoglycaemic agents targeting α -amylase, and α -glucosidase: synthesis, mole	22
Design, synthesis and biological evaluation of novel urolithin derivatives targeting liver cancer cells	21
Investigation of novel alkyl/benzyl (4-sulphamoylphenyl)carbamimidothioates as carbonic anhydrase inhibitors	21
Purification and characterisation of glutathione reductase from scorpionfish (scorpaena porcus) and investigation of heavy metal ions inhibition	21
Farnesiferol C enhances the effects of chemotherapy and ionising radiation in human melanoma cells via targeting topoisomerase II alpha	21
Fourth-generation EGFR-TKI to overcome C797S mutation: past, present, and future	20
Discovery of a novel PLK1 inhibitor with high inhibitory potency using a combined virtual screening strategy	20
The importance of including the C-terminal domain of PTP1B 1-400 to identify potential antidiabetic inhibitors	20
Discovery of novel biphenyl compounds bearing hydroxamic acid moiety as the first PD-L1/class I HDACs dual inhibitors	20
Enzyme sequence optimisation via Gromov-Wasserstein Autoencoders integrating MSA techniques	20
Insights into the inhibitory activities of neolignans and diarylnonanoid derivatives from nutmeg ( Myristica fragrans Houtt.) seeds on soluble epoxide hy	20
Identification of the first peptide inhibitor of UBE2C enzymatic activity: insights from metadynamics-guided folding and binding studies	20
Design, synthesis, anti-inflammatory evaluation, and molecular modelling of new coumarin-based analogs combined curcumin and other heterocycles as potential TNF-α production inhibitors	20
Design, synthesis and biological evaluation of novel diarylpyridine derivatives as tubulin polymerisation inhibitors	20
Design, synthesis, and bioevaluation of 1 h -pyrrolo[3,2- c ]pyridine derivatives as colchicine-binding site inhibitors with potent antica	20
Design and synthesis of novel HDAC6 inhibitor dimer as HDAC6 degrader for cancer treatment by palladium catalysed dimerisation	20
Synthesis, biological evaluation, and computational studies of N -benzyl pyridinium–curcumin derivatives as potent AChE inhibitors with antioxidant activ	20
Synthesis and biological evaluation of ortho -phenyl phenylhydroxamic acids containing phenothiazine with improved selectivity for class IIa histone deacetylases	19
Druggable cavities and allosteric modulators of the cell division cycle 7 (CDC7) kinase	19
Design, synthesis, biological evaluation and molecular docking study of 2,4-diarylimidazoles and 2,4-bis(benzyloxy)-5-arylpyrimidines as novel HSP90 N-terminal inhibitors	19
Discovering a novel dual specificity tyrosine-phosphorylation-regulated kinase 1A (DYRK1A) inhibitor and its impact on tau phosphorylation and amyloid-β formation	19
Green ultrasound‑assisted deep eutectic solvent extraction of flavonoid enzyme inhibitors from Blumea aromatica : process optimization, characterization,	19
Targeting RIPK1 to modulate cell death and tumour microenvironment in cancer therapy	19
Design, synthesis and antitumor activity of 5-trifluoromethylpyrimidine derivatives as EGFR inhibitors	19
The mechanism and pharmacodynamics of 2-((1H-indol-3-yl)thio/sulfinyl)-N-pheny acetamide derivative as a novel inhibitor against human respiratory syncytial virus	19
Design, synthesis, and bioevaluation of pyrazole-containing tubulin polymerisation inhibitors based on conformational constraint strategy	19
Novel benzo chromene derivatives: design, synthesis, molecular docking, cell cycle arrest, and apoptosis induction in human acute myeloid leukemia HL-60 cells	18
Identification of potential inhibitors against Staphylococcus aureus shikimate dehydrogenase through virtual screening and susceptibility test	18
Mixed and non-competitive enzyme inhibition: underlying mechanisms and mechanistic irrelevance of the formal two-site model	18
Prospecting in silico antibacterial activity of a peptide from trypsin inhibitor isolated from tamarind seed	18
Discovery of lignans as the effective inhibitors of CES1A alleviate lipid droplets formation	18
Correction	18
Discovery of azaindole/indole-fused pyrimidine tetracyclic scaffolds as novel potent CDK7 inhibitors	18
In vitro screening of compounds for targeting gastric cancer with Y220C p53 mutation: a molecule combining zinc chelation and a Michael acceptor drives <	18
Inhibition of prolyl-tRNA synthetase and efflux pumps as a dual-targeting strategy against multidrug-resistant bacteria	18
Design, synthesis and evaluation of novel small molecules acting as Keap1-Nrf2 protein-protein interaction inhibitors	17
PROTACs in cancer therapy: targeted degradation of GPX4, PARP and epigenetic regulators	17
Design and synthesis of new spirooxindole candidates and their selenium nanoparticles as potential dual Topo I/II inhibitors, DNA intercalators, and apoptotic inducers	17
3-aryl-4-(3,4,5-trimethoxyphenyl)pyridines inhibit tubulin polymerisation and act as anticancer agents	17
Effect of trypsin inhibitor isolated from tamarind seed (TTI) on caenorhabditis elegans survival under bacterial infection	17
Structure-activity exploration of a small-molecule allosteric inhibitor of T790M/L858R double mutant EGFR	16
Structure-activity relationship studies for inhibitors for vancomycin-resistant Enterococcus and human carbonic anhydrases	16
Peptide foldamer-based inhibitors of the SARS-CoV-2 S protein–human ACE2 interaction	16
Phytochemical constituents of Hydrangea macrophylla var. acuminata leaves and their inhibitory activity ag	16
Dentine biomodification by sulphonamides pre-treatment: bond strength, proteolytic inhibition, and antimicrobial activity	16
Discovery of new 1 H -pyrazolo[3,4- d ]pyrimidine derivatives as anticancer agents targeting EGFR	15
Palladium-catalysed synthesis of small-molecule epigenetic inhibitors as anticancer therapeutics	15
Rational repurposing, synthesis, in vitro and in silico studies of chromone-peptidyl hybrids as potential	15
Design, synthesis, biological evaluation and molecular docking study of novel pleuromutilin derivatives containing substituted benzoxazole as antibacterial agents	15
Expression of Concern	15
Design, synthesis and anti-breast cancer activity evaluation of 6,7-dihydro-5 H -pyrrolo[3,4- d ]pyrimidin	15
Design, synthesis and evaluation of quinoline- O -carbamate derivatives as multifunctional agents for the treatment of Alzheimer’s disease	15
Latest advances in dual inhibitors of acetylcholinesterase and monoamine oxidase B against Alzheimer’s disease	15
Synthesis and antitumor activity of litseaone B analogues as tubulin polymerisation inhibitors	15
Novel N -methylsulfonyl-indole derivatives: biological activity and COX-2/5-LOX inhibitory effect with improved gastro protective profile and reduced car	15
Effect of hydrophobic extension of aryl enaminones and pyrazole-linked compounds combined with sulphonamide, sulfaguanidine, or carboxylic acid functionalities on carbonic anhydrase inhibitory potency	14
New 1,2,3-triazole/1,2,4-triazole hybrids linked to oxime moiety as nitric oxide donor selective COX-2, aromatase, B-RAF V600E and EGFR inhibitors ce	14
Discovery and development of steroidal enzyme inhibitors as anti-cancer drugs: state-of-the-art and future perspectives	14
LDH isozymes as targets for cancer therapy	14
Dyhidro-β-agarofurans natural and synthetic as acetylcholinesterase and COX inhibitors: interaction with the peripheral anionic site (AChE-PAS), and anti-inflammatory potentials	14
Chemical composition, antioxidant activities, and enzyme inhibitory effects of Lespedeza bicolour Turcz. essential oil	14
Synthesis and evaluation of 5, 6-dihydro-8 H -isoquinolino[1, 2- b ]quinazolin-8-one derivatives as novel	14
Chromone-based monoamine oxidase B inhibitor with potential iron-chelating activity for the treatment of Alzheimer’s disease	13
Activation studies with amino acids and amines of a β-carbonic anhydrase from Mammaliicoccus (Staphylococcus) sciuri previously annotated as	13
Selected strategies to fight pathogenic bacteria	13
Correction	13
Pyridine indole hybrids as novel potent CYP17A1 inhibitors	13
Discovery of new pyridine-quinoline hybrids as competitive and non-competitive PIM-1 kinase inhibitors with apoptosis induction and caspase 3/7 activation capabilities	13
Discovery of novel 2-aminopyridine derivatives as ROS1 and ALK dual inhibitors to combat drug-resistant mutants including ROS1 G2032R and ALK	13
Statement of Retraction: Dependence on linkers’ flexibility designed for benzenesulfonamides targeting discovery of novel hCA IX inhibitors as potent anticancer agents	13
Ferroptosis and hearing loss: from molecular mechanisms to therapeutic interventions	13
Design, synthesis, and evaluation of cyclic C7-bridged monocarbonyl curcumin analogs containing an o -methoxy phenyl group as potential agents against gastric cancer	12
Discovery and biological evaluation of a novel and highly potent JAK2 inhibitor for the treatment of triple negative breast cancer	12
Study on the synthesis and biological activity of kojic acid triazol thiosemicarbazide Schiff base derivatives	12
Pterostilbene fluorescent probes as potential tools for targeting neurodegeneration in biological applications	12
Advances in ERK1/2 inhibition: a medicinal chemistry perspective on structure and regulation	12
Design, synthesis and biological evaluation of 4-aminoquinoline derivatives as receptor-interacting protein kinase 2 (RIPK2) inhibitors	12
Evaluation of the anticancer effects exerted by 5-fluorouracil and heme oxygenase-1 inhibitor hybrids in HTC116 colorectal cancer cells	12
Discovery of N8: a novel IKKε inhibitor with potent anticancer activity via cytotoxicity, migration suppression, and autophagy modulation	12

Recruitment of hexahydroquinoline as anticancer scaffold targeting inhibition of wild and mutants EGFR (EGFR WT , EGFR T790M	11
Dimethoxybenzohomoadamantane-based soluble epoxide hydrolase inhibitors: in vivo efficacy in a murine model of chemotherapy-induced neuropathic pain	11
Novel benzothiazole derivatives as multitargeted-directed ligands for the treatment of Alzheimer’s disease	11
Potent carbonic anhydrase I, II, IX and XII inhibition activity of novel primary benzenesulfonamides incorporating bis-ureido moieties	11
Exploring of N-phthalimide-linked 1,2,3-triazole analogues with promising ­anti-SARS-CoV-2 activity: synthesis, biological screening, and molecular modelling studies	11
Structure optimization and molecular dynamics studies of new tumor-selective s -triazines targeting DNA and MMP-10/13 for halting colorectal and secondary liver cancers	11
Discovery of novel enasidenib analogues targeting inhibition of mutant isocitrate dehydrogenase 2 as antileukaemic agents	11
Design and synthesis of new indole drug candidates to treat Alzheimer’s disease and targeting neuro-inflammation using a multi-target-directed ligand (MTDL) strategy	11
Novel alloxazine analogues: design, synthesis, and antitumour efficacy enhanced by kinase screening, molecular docking, and ADME studies	11
Profiling and cheminformatics bioprospection of curcurbitacin I and momordin Ic from Momordica balsamina on α-amylase and α-glucosidase	11
A stable GH31 α-glucosidase as a model system for the study of mutations leading to human glycogen storage disease type II	11
Insights into the complexity of SARS-CoV-2 M pro inhibition: Ebselen and its derivatives impair dimerisation of the enzyme	11
Inhibition by components of Glycyrrhiza uralensis of 3CLpro and HCoV-OC43 proliferation	11
The hope and hype of ellagic acid and urolithins as ligands of SARS-CoV-2 Nsp5 and inhibitors of viral replication	11
Design, synthesis, and biological evaluation of benzoheterocyclic sulfoxide derivatives as quorum sensing inhibitors in Pseudomonas aeruginosa	11
Imidazole-2-thione derivatives as new selective anticancer agents with anti-metastatic properties: synthesis and pharmacological evaluation	11
Discovery of novel thiosemicarbazone derivatives with potent and selective anti- Candida glabrata activity	11
Discovery of potent heat shock protein 90 (Hsp90) inhibitors: structure-based virtual screening, molecular dynamics simulation, and biological evaluation	11
Synthesis and anticancer properties of celastrol derivatives involved in the inhibition of VEGF	11
Design and Pictet–Spengler enabled synthesis of carboxamide-substituted imidazo[1,2- a ]quinoxalines as dual EGFR and tubulin targeting anticancer agents	11
High-throughput virtual screening, identification and in vitro biological evaluation of novel inhibitors of PLK1 and NRP1	11
Enaminone-based carboxylic acids as novel non-classical carbonic anhydrases inhibitors: design, synthesis and in vitro biological assessment	11
The multifaceted nature of plant acid phosphatases: purification, biochemical features, and applications	11
New benzothiazole hybrids as potential VEGFR-2 inhibitors: design, synthesis, anticancer evaluation, and in silico study	10
Discovery of new symmetrical and asymmetrical nitrile-containing 1,4-dihydropyridine derivatives as dual kinases and P-glycoprotein inhibitors: synthesis, in vitro	10
Synthesis and biological evaluation of thieno[3,2- c ]pyrazol-3-amine derivatives as potent glycogen synthase kinase 3β inhibitors for Alzheimer’s diseas	10
Design, synthesis, and biological evaluation of a novel series of 2-(2,6-dioxopiperidin-3-yl)isoquinoline-1,3(2 H ,4 H	10
Targeting ALDH7A1 with covalent inhibitors reveals new chemical space for prostate cancer therapy	10
Privileged multi-target directed propargyl-tacrines combining cholinesterase and monoamine oxidase inhibition activities	10
Discovery of new thymol-3,4-disubstituted thiazole hybrids as dual COX-2/5-LOX inhibitors with in vivo proof	10
Ligand-based design, synthesis, computational insights, and in vitro studies of novel N -(5-Nitrothiazol-2	10
Discovery of potent tubulin inhibitors targeting the colchicine binding site via structure-based lead optimization and antitumor evaluation	10
New isoxazolidinyl-based N -alkylethanolamines as new activators of human brain carbonic anhydrases	10
Research progress of natural products and their derivatives against Alzheimer’s disease	10
Potent inhibition of human tyrosinase inhibitor by verproside from the whole plant of Pseudolysimachion rotundum var.	10
Investigation of the potential of phytochemicals derived from citrus peels to inhibit digestive enzymes: an overture to the management of lifestyle diseases	10
Carboranyl-1,8-naphthalimide intercalators induce lysosomal membrane permeabilization and ferroptosis in cancer cell lines	10
Identification of a new structural family of SGK1 inhibitors as potential neuroprotective agents	10
Microtiter plate-based chemistry and in situ screening: SuFEx-enabled lead discovery of selective AChE inhibitors	10
Novel N -Arylmethyl-aniline/chalcone hybrids as potential VEGFR inhibitors: synthesis, biological evaluations, and molecular dynamic simulations	10
Discovery and SAR analysis of 5-chloro-4-((substituted phenyl)amino)pyrimidine bearing histone deacetylase inhibitors	9
Inhibition of pathogenic bacterial carbonic anhydrases by monothiocarbamates	9
Oxidation of flavonoids by tyrosinase and by o -quinones–comment on "Flavonoids as tyrosinase inhibitors in in silico	9
Indirubin-3′-oxime as a dual-action agent: mitigating heat-induced male infertility in Drosophila melanogaster and inhibiting soluble epoxide hydrolase	9
Investigation of the inhibitory properties of azo-dyes on chorismate synthase from Paracoccidioides brasiliensis	9
Structure-guided approach on the role of substitution on amide-linked bipyrazoles and its effect on their anti-inflammatory activity	9
Styrylquinazoline derivatives as ABL inhibitors selective for different DFG orientations	9
Inhibitors of phosphoinositide 3-kinase (PI3K) and phosphoinositide 3-kinase-related protein kinase family (PIKK)	9
Methotrexate, an anti-inflammatory drug, inhibits Hepatitis E viral replication	9
Renalase stimulates aldosterone production via PMCA4b/cAMP in NCI-H295R cells	9
Derivatives of 4-methyl-1,2,3-benzoxathiazine 2,2-dioxide as selective inhibitors of human carbonic anhydrases IX and XII over the cytosolic isoforms I and II	9
Reply letter to Dr. Wojtasek regarding: Oxidation of flavonoids by tyrosinase and by o-quinones–comment on "Flavonoids as tyrosinase inhibitors in in silico	9
Predicting potentially pathogenic effects of h RPE65 missense mutations: a computational strategy based on molecular dynamics simulations	9
TXNIP inhibition in the treatment of type 2 diabetes mellitus: design, synthesis, and biological evaluation of quinazoline derivatives	9
Development of triaryl antimicrobials by scaffold hopping from an aminopropanol hit targeting bacterial RNA polymerase-NusG interactions	9
Discovery of a new class of triazole based inhibitors of acetyl transferase KAT2A	9
Development of PD3 and PD3-B for PDEδ inhibition to modulate KRAS activity	9
Synthesis and in vitro evaluation of benzo[b]thiophene-3-carboxylic acid 1,1-dioxide derivatives as anticancer agents targeting the RhoA/ROCK pathway	9
Rational design of biodegradable sulphonamide candidates treating septicaemia by synergistic dual inhibition of COX-2/PGE2 axis and DHPS enzyme	9
Correction	9
From the Wuhan-Hu-1 strain to the XD and XE variants: is targeting the SARS-CoV-2 spike protein still a pharmaceutically relevant option against COVID-19?	9
27-Hydroxycholesterol in cancer development and drug resistance	9
Correction	9
Design, synthesis, and biological evaluation of pyrido[2,3-d]pyrimidine and thieno[2,3-d]pyrimidine derivatives as novel EGFR L858R/T790M inhibitors	9
Multitarget drugs as potential therapeutic agents for alzheimer’s disease. A new family of 5-substituted indazole derivatives as cholinergic and BACE1 inhibitors	9
Discovery of novel coumarin-containing triazolo[1,5-a]pyrimidine derivatives as potent ABCB1 inhibitor for modulation of multidrug resistance	9
Design, synthesis, and evaluation of novel benzoylhydrazone derivatives as Nur77 modulators with potent antitumor activity against hepatocellular carcinoma	8
Correction	8
Curcumin analogues exert potent inhibition on human and rat gonadal 3β-hydroxysteroid dehydrogenases as potential therapeutic agents: structure-activity relationship and in silico docking	8
Liquidambaric acid as a non-competitive α-glucosidase inhibitor: multi-level evidence from enzyme kinetics, molecular docking, molecular dynamics simulations, and a Drosophila	8
Discovery of new 6-ureido/amidocoumarins as highly potent and selective inhibitors for the tumour-relevant carbonic anhydrases IX and XII	8
Identification of a novel and high-affinity cyclic peptide targeting Keap1 for inflammation treatment by a combined virtual screening strategy	8
Discovery of pyrimidine-tethered benzothiazole derivatives as novel anti-tubercular agents towards multi- and extensively drug resistant Mycobacterium tuberculosis	8
Novel amides of mycophenolic acid and some heterocyclic derivatives as immunosuppressive agents	8
Design, synthesis, and biological evaluation of novel carbazole derivatives as potent DNMT1 inhibitors with reasonable PK properties	8
New quinoline and isatin derivatives as apoptotic VEGFR-2 inhibitors: design, synthesis, anti-proliferative activity, docking, ADMET, toxicity, and MD simulation studies	8
Discovery of novel conjugates of quinoline and thiazolidinone urea as potential anti-colorectal cancer agent	8
In silico identification and biological evaluation of a selective MAP4K4 inhibitor against pancreatic cancer	8
Synthesis, biological evaluation and theoretical studies of ( E )-1-(4-sulfamoyl-phenylethyl)-3-arylidene-5-aryl-1H-pyrrol-2(3H)-ones as human carbonic a	8
Activity guided discovery of dual inhibitors of α-glucosidase and β-glucuronidase from the leaves of Millettia pachycarpa Benth	8
Rational design, synthesis, and pharmacological characterisation of dicarbonyl curcuminoid analogues with improved stability against lung cancer via ROS and ER stress mediated cell apoptosis and pyrop	8
Identification of broad-spectrum M pro inhibitors: a focus on high-risk coronaviruses and conserved interactions	8
Repurposing of rabeprazole as an anti- Trypanosoma cruzi drug that targets cellular triosephosphate isomerase	8
Design, synthesis and biological evaluation of 2,4-pyrimidinediamine derivatives as ALK and HDACs dual inhibitors for the treatment of ALK addicted cancer	8
Acetazolamide and human carbonic anhydrases: retrospect, review and discussion of an intimate relationship	8
Imparting aromaticity to 2-pyridone derivatives by O -alkylation resulted in new competitive and non-competitive PIM-1 kinase inhibitors with caspase-activated apoptosis	8
Design, synthesis, anticancer activity, and mechanistic investigation of 4,5,6,7-tetrahydrobenzo[ b ]thiophene carboxamides as CDK-2 inhibitors:	8
Systematic identification of bacterial neuraminidase inhibitors from Psoralea corylifolia using ultrafiltration-UPLC-Q-Orbitrap-MS and molecular dynamics	8
Synthesis and antimicrobial activity of aminoalkyl resveratrol derivatives inspired by cationic peptides	8
New pyrazolyl-thiazolidinone/thiazole derivatives as celecoxib/dasatinib analogues with selective COX-2, HER-2 and EGFR inhibitory effects: design, synthesis, anti-inflammatory/anti-proliferative acti	8
9,10-Dioxoanthracenyldithiocarbamates effectively inhibit the proliferation of non-small cell lung cancer by targeting multiple protein tyrosine kinases	8
Non-small cell lung cancer sensitisation to platinum chemotherapy via new thiazole-triazole hybrids acting as dual T-type CCB/MMP-9 inhibitors	8
Cloning, characterization, and inhibition of the novel β-carbonic anhydrase from parasitic blood fluke, Schistosoma mansoni	8
Identification and evaluation of antiviral activity of novel compounds targeting SARS-CoV-2 virus by enzymatic and antiviral assays, and computational analysis	8
Design and synthesis of benzothiazole-based SLC-0111 analogues as new inhibitors for the cancer-associated carbonic anhydrase isoforms IX and XII	8