Journal of Enzyme Inhibition and Medicinal Chemistry

Article	Citations
Recombinant ferritins for multimodal nanomedicine	151
Synthesis, DFT calculations, and anti-proliferative evaluation of pyrimidine and selenadiazolopyrimidine derivatives as dual Topoisomerase II and HSP90 inhibitors	111
Ultrasound promoted green synthesis, anticancer evaluation, and molecular docking studies of hydrazines: a pilot trial	85
Design, synthesis, and biological evaluation of potent FAK-degrading PROTACs	72
Identification of novel non-toxic and anti-angiogenic α-fluorinated chalcones as potent colchicine binding site inhibitors	61
Synthesis, biological evaluation, and in silico studies of new CDK2 inhibitors based on pyrazolo[3,4- d ]pyrimidine and pyrazolo[4,3-	55
Discovery and SAR analysis of phenylbenzo[d][1,3]dioxole-based proprotein convertase subtilisin/kexin type 9 inhibitors	55
Design, synthesis, and biological evaluation of biotinylated colchicine derivatives as potential antitumor agents	52
Mechanism of biotin carboxylase inhibition by ethyl 4-[[2-chloro-5-(phenylcarbamoyl)phenyl]sulphonylamino]benzoate	50
Diversely substituted sulfamides for fragment-based drug discovery of carbonic anhydrase inhibitors: synthesis and inhibitory profile	49
Design, synthesis and antitumor evaluation of novel pyrazolo[3,4- d ]pyrimidines incorporating different amino acid conjugates as potential DHFR inhibitors	49
Different chemical proteomic approaches to identify the targets of lapatinib	47
Novel harmine derivatives as potent acetylcholinesterase and amyloid beta aggregation dual inhibitors for management of Alzheimer’s disease	46
Natural product sennoside B disrupts liquid-liquid phase separation of SARS-CoV-2 nucleocapsid protein by inhibiting its RNA-binding activity	45
4-Cyanamidobenzenesulfonamide derivatives: a novel class of human and bacterial carbonic anhydrase inhibitors	45
Towards safer anti-inflammatory therapy: synthesis of new thymol–pyrazole hybrids as dual COX-2/5-LOX inhibitors	44
Development of new thiazolidine-2,4-dione hybrids as aldose reductase inhibitors endowed with antihyperglycaemic activity: design, synthesis, biological investigations, and in silico	44
Myeloperoxidase as a therapeutic target for oxidative damage in Alzheimer’s disease	43
Recent progress in chemistry and bioactivity of monoterpenoid indole alkaloids from the genus gelsemium : a comprehensive review	42
Design, synthesis, and molecular docking studies of novel pomalidomide-based PROTACs as potential anti-cancer agents targeting EGFR WT and EGFR T790	41
Discovery of a selective PI3Kα inhibitor via structure-based virtual screening for targeted colorectal cancer therapy	41
Promising inhibition of diabetes-related enzymes and antioxidant properties of Ptilostemon casabonae leaves extract	40
Antifungal and anti-biofilm effects of hydrazone derivatives on Candida spp	40
2,5-Dihydroxyphenylethanone: an anti-melanogenic bioactive compound isolated from Ganoderma cochlear	40
Development of novel 9- O -substituted-13-octylberberine derivatives as potential anti-hepatocellular carcinoma agents	39

Investigation of the enantioselectivity of acetylcholinesterase and butyrylcholinesterase upon inhibition by tacrine-iminosugar heterodimers	39
Synthesis, molecular modelling and QSAR study of new N- phenylacetamide-2-oxoindole benzensulfonamide conjugates as carbonic anhydrase inhibitors with antiproliferative	38
From Antarctica to cancer research: a novel human DNA topoisomerase 1B inhibitor from Antarctic sponge Dendrilla antarctica	37
Targeting the glutamine-arginine-proline metabolism axis in cancer	37
1,3,4-Oxadiazole-naphthalene hybrids as potential VEGFR-2 inhibitors: design, synthesis, antiproliferative activity, apoptotic effect, and in silico studies	36
Identification of sulphonamide-tethered N -((triazol-4-yl)methyl)isatin derivatives as inhibitors of SARS-CoV-2 main protease	35
Development of ketobenzothiazole-based peptidomimetic TMPRSS13 inhibitors with low nanomolar potency	35
Design, synthesis, docking, and anticancer evaluations of new thiazolo[3,2- a ] pyrimidines as topoisomerase II inhibitors	34
Design and synthesis of 1,4,8-triazaspiro[4.5]decan-2-one derivatives as novel mitochondrial permeability transition pore inhibitors	34
Development of potent and effective SARS-CoV-2 main protease inhibitors based on maleimide analogs for the potential treatment of COVID-19	34
Selisistat, a SIRT1 inhibitor, enhances paclitaxel activity in luminal and triple-negative breast cancer: in silico, in vitro, and in vivo studies	34
Fragment-based design, synthesis and biological evaluation of theophylline derivatives as ATAD2 inhibitors in BT-549 cells	34
Discovery of a novel Aurora B inhibitor GSK650394 with potent anticancer and anti- aspergillus fumigatus dual efficacies in vitro	33
Identification of new benzimidazole-triazole hybrids as anticancer agents: multi-target recognition, in vitro and in silico studies	33
New imidazole-2-thiones linked to acenaphythylenone as dual DNA intercalators and topoisomerase II inhibitors: structural optimization, docking, and apoptosis studies	33
Heterologous expression and biochemical characterisation of the recombinant β-carbonic anhydrase (MpaCA) from the warm-blooded vertebrate pathogen malassezia pachydermatis	32
GC-MS metabolites profiling of anethole-rich oils by different extraction techniques: antioxidant, cytotoxicity and in-silico enzymes inhibitory insights	31
New benzoxazole derivatives as potential VEGFR-2 inhibitors and apoptosis inducers: design, synthesis, anti-proliferative evaluation, flowcytometric analysis, and in silico	31
Structure-based virtual screening and biological evaluation of novel small-molecule BTK inhibitors	30
Dithiocarbamates effectively inhibit the α-carbonic anhydrase from Neisseria gonorrhoeae	30
Drug-like molecules with anti-trypanothione synthetase activity identified by high throughput screening	29
Searching for drug leads targeted to the hydrophobic cleft of dengue virus capsid protein	29
Synthesis and structure–activity relationships for some novel diflapolin derivatives with benzimidazole subunit	29
3 H -1,2-Benzoxaphosphepine 2-oxides as selective inhibitors of carbonic anhydrase IX and XII	28
Anti-obesity carbonic anhydrase inhibitors: challenges and opportunities	28
Development of naringenin- O -alkylamine derivatives as multifunctional agents for the treatment of Alzheimer’s disease	28
1,2,3-Benzoxathiazine-2,2-dioxides – effective inhibitors of human carbonic anhydrases	27
Crystal structure of ricin toxin A chain complexed with a highly potent pterin-based small-molecular inhibitor	27
Searching for novel MDM2/MDMX dual inhibitors through a drug repurposing approach	26
Probing mutation-induced conformational transformation of the GTP/M-RAS complex through Gaussian accelerated molecular dynamics simulations	26
Structural comparison of substrate-binding pockets of serine β-lactamases in classes A, C, and D	26
Recent progress in discovery of novel AAK1 inhibitors: from pain therapy to potential anti-viral agents	26
PD-L1 dimerisation induced by biphenyl derivatives mediates anti-breast cancer activity via the non-immune PD-L1–AKT–mTOR/Bcl2 pathway	26
Unveiling the mechanism of action of acylated temporin L analogues against multidrug-resistant Candida albicans	26
o-Vanillin binds covalently to MAL/TIRAP Lys-210 but independently inhibits TLR2	26
Challenging the Biginelli scaffold to surpass the first line antitubercular drugs: Mycobacterium tuberculosis thymidine monophosphate kinase (TMPK mt	25
Antiglycoxidative properties of amantadine – a systematic review and comprehensive in vitro study	25
Structural isomerisation affects the antitubercular activity of adamantyl-isoxyl adducts	25
Discovery of novel polysubstituted N -alkyl acridone analogues as histone deacetylase isoform-selective inhibitors for cancer therapy	24
Statement of Retraction: Dihydroartemisinin enhances the anti-tumor effect of photodynamic therapy by targeting PKM2-mediated glycolysis in esophageal cancer cell	24
Design, synthesis, biological evaluation and QSAR analysis of novel N -substituted benzimidazole derived carboxamides	24
Regioselective approach to colchiceine tropolone ring functionalization at C(9) and C(10) yielding new anticancer hybrid derivatives containing heterocyclic structural motifs	24
Selective inhibition of carbonic anhydrase IX by sulphonylated 1,2,3-triazole incorporated benzenesulphonamides capable of inducing apoptosis	24
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/ EG	24
Design, synthesis, molecular modelling and antitumor evaluation of S -glucosylated rhodanines through topo II inhibition and DNA intercalation	23
Exploring covalent inhibitors of SARS-CoV-2 main protease: from peptidomimetics to novel scaffolds	23
Development of novel anilinoquinazoline-based carboxylic acids as non-classical carbonic anhydrase IX and XII inhibitors	23
Design and synthesis of some new benzoylthioureido benzenesulfonamide derivatives and their analogues as carbonic anhydrase inhibitors	23
Discovery of an effective anti-inflammatory agent for inhibiting the activation of NF-κB	23
Discovery of selective ACAT2 antagonist via a combination strategy based on deep docking, pharmacophore modelling, and molecular dynamics simulation	23

Heterocycle-containing tranylcypromine derivatives endowed with high anti-LSD1 activity	22
Design and biological evaluation of substituted 5,7-dihydro-6 H -indolo[2,3- c ]quinolin-6-one as novel selective Haspin inhibitors	22
A polypeptide inhibitor of calcineurin blocks the calcineurin-NFAT signalling pathway in vivo and in vitro	22
Design, synthesis, and study of novel phenethyl-based antitumor phospholipids downregulating p38 mitogen-activated protein kinase	22
Coumarins inhibit η-class carbonic anhydrase from Plasmodium falciparum	22
Anti-breast cancer sinomenine derivatives via mechanisms of apoptosis induction and metastasis reduction	22
Arctigenin: pharmacology, total synthesis, and progress in structure modification	21
Identification of putative allosteric inhibitors of BCKDK via virtual screening and biological evaluation	21
New 1,2,3-triazole linked ciprofloxacin-chalcones induce DNA damage by inhibiting human topoisomerase I& II and tubulin polymerization	21
Fluorinated indeno-quinoxaline bearing thiazole moieties as hypoglycaemic agents targeting α -amylase, and α -glucosidase: synthesis, mole	21
Discovery of a novel PLK1 inhibitor with high inhibitory potency using a combined virtual screening strategy	21
Discovery of benzochromene derivatives first example with dual cytotoxic activity against the resistant cancer cell MCF-7/ADR and inhibitory effect of the P -glycoprotei	21
Fourth-generation EGFR-TKI to overcome C797S mutation: past, present, and future	20
Insights into the inhibitory activities of neolignans and diarylnonanoid derivatives from nutmeg ( Myristica fragrans Houtt.) seeds on soluble epoxide hydrolase using	20
Design, synthesis and biological evaluation of novel urolithin derivatives targeting liver cancer cells	20
Flavonoids as tyrosinase inhibitors in in silico and in vitro models: basic framework of SAR using a statistical modelling approach	20
Design, synthesis, and bioevaluation of 1 h -pyrrolo[3,2- c ]pyridine derivatives as colchicine-binding site inhibitors with potent antica	20
Thio- and selenosemicarbazones as antiprotozoal agents against Trypanosoma cruzi and Trichomonas vaginalis	20
Discovery of novel paeonol-based derivatives against skin inflammation in vitro and in vivo	20
Design and synthesis of novel HDAC6 inhibitor dimer as HDAC6 degrader for cancer treatment by palladium catalysed dimerisation	20
The importance of including the C-terminal domain of PTP1B 1-400 to identify potential antidiabetic inhibitors	20
Purification and characterisation of glutathione reductase from scorpionfish (scorpaena porcus) and investigation of heavy metal ions inhibition	20
Discovering a novel dual specificity tyrosine-phosphorylation-regulated kinase 1A (DYRK1A) inhibitor and its impact on tau phosphorylation and amyloid-β formation	19
Synthesis and biological evaluation of ortho -phenyl phenylhydroxamic acids containing phenothiazine with improved selectivity for class IIa histone deacetylases	19
Discovery of novel biphenyl compounds bearing hydroxamic acid moiety as the first PD-L1/class I HDACs dual inhibitors	19
Design, synthesis, anti-inflammatory evaluation, and molecular modelling of new coumarin-based analogs combined curcumin and other heterocycles as potential TNF-α production inhibitors	19
Charged pyridinium oximes with thiocarboxamide moiety are equally or less effective reactivators of organophosphate-inhibited cholinesterases compared to analogous carboxamides	19
Investigation of novel alkyl/benzyl (4-sulphamoylphenyl)carbamimidothioates as carbonic anhydrase inhibitors	19
TNP and its analogs: Modulation of IP6K and CYP3A4 inhibition	18
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	18
Design, synthesis and antitumor activity of 5-trifluoromethylpyrimidine derivatives as EGFR inhibitors	18
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	18
Synthesis, biological evaluation, and computational studies of N -benzyl pyridinium–curcumin derivatives as potent AChE inhibitors with antioxidant activity	17
Discovery of lignans as the effective inhibitors of CES1A alleviate lipid droplets formation	17
Prospecting in silico antibacterial activity of a peptide from trypsin inhibitor isolated from tamarind seed	17
Short divalent ethacrynic amides as pro-inhibitors of glutathione S -transferase isozyme Mu and potent sensitisers of cisplatin-resistant ovarian cancers	17
Novel benzo chromene derivatives: design, synthesis, molecular docking, cell cycle arrest, and apoptosis induction in human acute myeloid leukemia HL-60 cells	16
Design, synthesis and biological evaluation of novel diarylpyridine derivatives as tubulin polymerisation inhibitors	16
3-aryl-4-(3,4,5-trimethoxyphenyl)pyridines inhibit tubulin polymerisation and act as anticancer agents	16
Identification of potential inhibitors against Staphylococcus aureus shikimate dehydrogenase through virtual screening and susceptibility test	16
Effect of trypsin inhibitor isolated from tamarind seed (TTI) on caenorhabditis elegans survival under bacterial infection	16
Dentine biomodification by sulphonamides pre-treatment: bond strength, proteolytic inhibition, and antimicrobial activity	16
Druggable cavities and allosteric modulators of the cell division cycle 7 (CDC7) kinase	16
Mixed and non-competitive enzyme inhibition: underlying mechanisms and mechanistic irrelevance of the formal two-site model	16
Peptide foldamer-based inhibitors of the SARS-CoV-2 S protein–human ACE2 interaction	16
Correction	15
Structure-activity relationship studies for inhibitors for vancomycin-resistant Enterococcus and human carbonic anhydrases	15
Design, synthesis, biological evaluation and molecular docking study of novel pleuromutilin derivatives containing substituted benzoxazole as antibacterial agents	15
Synthesis and antitumor activity of litseaone B analogues as tubulin polymerisation inhibitors	15
Replacing the phthalimide core in thalidomide with benzotriazole	15
Design, synthesis and evaluation of novel small molecules acting as Keap1-Nrf2 protein-protein interaction inhibitors	15
Latest advances in dual inhibitors of acetylcholinesterase and monoamine oxidase B against Alzheimer’s disease	15
Synthesis and evaluation of 5, 6-dihydro-8 H -isoquinolino[1, 2- b ]quinazolin-8-one derivatives as novel non-lipogenic ABCA1 up-regulator	15
Design and synthesis of new spirooxindole candidates and their selenium nanoparticles as potential dual Topo I/II inhibitors, DNA intercalators, and apoptotic inducers	15
5-(Sulfamoyl)thien-2-yl 1,3-oxazole inhibitors of carbonic anhydrase II with hydrophilic periphery	15
Structure-activity exploration of a small-molecule allosteric inhibitor of T790M/L858R double mutant EGFR	15
Discovery of new 1 H -pyrazolo[3,4- d ]pyrimidine derivatives as anticancer agents targeting EGFR WT an	15
Inhibitory effect of roburic acid in combination with docetaxel on human prostate cancer cells	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
The inhibitory effect of boric acid on hypoxia-regulated tumour-associated carbonic anhydrase IX	14
Discovery of new pyridine-quinoline hybrids as competitive and non-competitive PIM-1 kinase inhibitors with apoptosis induction and caspase 3/7 activation capabilities	14
Design, synthesis, and evaluation of cyclic C7-bridged monocarbonyl curcumin analogs containing an o -methoxy phenyl group as potential agents against gastric cancer	14
Discovery and development of steroidal enzyme inhibitors as anti-cancer drugs: state-of-the-art and future perspectives	14
Novel N -methylsulfonyl-indole derivatives: biological activity and COX-2/5-LOX inhibitory effect with improved gastro protective profile and reduced cardio vascular ris	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 celecoxib analogs:	14
Design, synthesis and biological evaluation of 4-aminoquinoline derivatives as receptor-interacting protein kinase 2 (RIPK2) inhibitors	14
Study on the synthesis and biological activity of kojic acid triazol thiosemicarbazide Schiff base derivatives	14
Rational repurposing, synthesis, in vitro and in silico studies of chromone-peptidyl hybrids as potential agents against Le	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
Evaluation of the anticancer effects exerted by 5-fluorouracil and heme oxygenase-1 inhibitor hybrids in HTC116 colorectal cancer cells	14
Design, synthesis and evaluation of quinoline- O -carbamate derivatives as multifunctional agents for the treatment of Alzheimer’s disease	14
In vitro α-glucosidase inhibition by Brazilian medicinal plant extracts characterised by ultra-high performance liquid chromatography coupled to mass spectrometry	13
Pterostilbene fluorescent probes as potential tools for targeting neurodegeneration in biological applications	13
Selected strategies to fight pathogenic bacteria	13
Statement of Retraction: Dependence on linkers’ flexibility designed for benzenesulfonamides targeting discovery of novel hCA IX inhibitors as potent anticancer agents	13
Chromone-based monoamine oxidase B inhibitor with potential iron-chelating activity for the treatment of Alzheimer’s disease	13
Correction	13
Triazoloquinoxalines-based DNA intercalators-Topo II inhibitors: design, synthesis, docking, ADMET and anti-proliferative evaluations	13
Activation studies with amino acids and amines of a β-carbonic anhydrase from Mammaliicoccus (Staphylococcus) sciuri previously annotated as Staphylococcu	13

Pyridine indole hybrids as novel potent CYP17A1 inhibitors	13
Ferroptosis and hearing loss: from molecular mechanisms to therapeutic interventions	13
Discovery and biological evaluation of a novel and highly potent JAK2 inhibitor for the treatment of triple negative breast cancer	12
Synthesis and evaluation of novel 1-(((6-substitutedbenzo[ d ]thiazol-2-yl)amino)(heteroaryl)methyl)naphthalen-2-ol as pesticidal agents	12
Discovery of novel 2-aminopyridine derivatives as ROS1 and ALK dual inhibitors to combat drug-resistant mutants including ROS1 G2032R and ALK G1202R	12
A stable GH31 α-glucosidase as a model system for the study of mutations leading to human glycogen storage disease type II	12
Profiling and cheminformatics bioprospection of curcurbitacin I and momordin Ic from Momordica balsamina on α-amylase and α-glucosidase	12
Research progress of coumarins and their derivatives in the treatment of diabetes	12
Discovery of novel thiosemicarbazone derivatives with potent and selective anti- Candida glabrata activity	12
Novel alloxazine analogues: design, synthesis, and antitumour efficacy enhanced by kinase screening, molecular docking, and ADME studies	12
Discovery of potent heat shock protein 90 (Hsp90) inhibitors: structure-based virtual screening, molecular dynamics simulation, and biological evaluation	12
Recruitment of hexahydroquinoline as anticancer scaffold targeting inhibition of wild and mutants EGFR (EGFR WT , EGFR T790M , and	12
Synthesis and anticancer properties of celastrol derivatives involved in the inhibition of VEGF	12
New isoxazolidinyl-based N -alkylethanolamines as new activators of human brain carbonic anhydrases	11
Potent carbonic anhydrase I, II, IX and XII inhibition activity of novel primary benzenesulfonamides incorporating bis-ureido moieties	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
Enaminone-based carboxylic acids as novel non-classical carbonic anhydrases inhibitors: design, synthesis and in vitro biological assessment	11
Discovery of new symmetrical and asymmetrical nitrile-containing 1,4-dihydropyridine derivatives as dual kinases and P-glycoprotein inhibitors: synthesis, in vitro assay	11
Novel benzothiazole derivatives as multitargeted-directed ligands for the treatment of Alzheimer’s disease	11
Microtiter plate-based chemistry and in situ screening: SuFEx-enabled lead discovery of selective AChE inhibitors	11
Inhibition by components of Glycyrrhiza uralensis of 3CLpro and HCoV-OC43 proliferation	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
Design, synthesis, and biological evaluation of a novel series of 2-(2,6-dioxopiperidin-3-yl)isoquinoline-1,3(2 H ,4 H )-dione derivatives	11
The multifaceted nature of plant acid phosphatases: purification, biochemical features, and applications	11
Pyrimidine-5-carbonitrile based potential anticancer agents as apoptosis inducers through PI3K/AKT axis inhibition in leukaemia K562	11
Discovery of novel enasidenib analogues targeting inhibition of mutant isocitrate dehydrogenase 2 as antileukaemic agents	11
Design, synthesis, and biological evaluation of benzoheterocyclic sulfoxide derivatives as quorum sensing inhibitors in Pseudomonas aeruginosa	11
Discovery of potent tubulin inhibitors targeting the colchicine binding site via structure-based lead optimization and antitumor evaluation	11
Design and synthesis of chromone-nitrogen mustard derivatives and evaluation of anti-breast cancer activity	11
Novel N -Arylmethyl-aniline/chalcone hybrids as potential VEGFR inhibitors: synthesis, biological evaluations, and molecular dynamic simulations	11
Ligand-based design, synthesis, computational insights, and in vitro studies of novel N -(5-Nitrothiazol-2-yl)-carboxamido derivatives as	10
Carboranyl-1,8-naphthalimide intercalators induce lysosomal membrane permeabilization and ferroptosis in cancer cell lines	10
Inhibition of pathogenic bacterial carbonic anhydrases by monothiocarbamates	10
Multitarget drugs as potential therapeutic agents for alzheimer’s disease. A new family of 5-substituted indazole derivatives as cholinergic and BACE1 inhibitors	10
Potent inhibition of human tyrosinase inhibitor by verproside from the whole plant of Pseudolysimachion rotundum var. subintegrum	10
Research progress of natural products and their derivatives against Alzheimer’s disease	10
Exploring of N-phthalimide-linked 1,2,3-triazole analogues with promising ­anti-SARS-CoV-2 activity: synthesis, biological screening, and molecular modelling studies	10
Identification of a new structural family of SGK1 inhibitors as potential neuroprotective agents	10
Methotrexate, an anti-inflammatory drug, inhibits Hepatitis E viral replication	10
Highly potent inhibitors of cathepsin K with a differently positioned cyanohydrazide warhead: structural analysis of binding mode to mature and zymogen-like enzymes	10
New benzothiazole hybrids as potential VEGFR-2 inhibitors: design, synthesis, anticancer evaluation, and in silico study	10
Synthesis and biological evaluation of thieno[3,2- c ]pyrazol-3-amine derivatives as potent glycogen synthase kinase 3β inhibitors for Alzheimer’s disease	10
The hope and hype of ellagic acid and urolithins as ligands of SARS-CoV-2 Nsp5 and inhibitors of viral replication	10
Synthesis and in vitro evaluation of benzo[b]thiophene-3-carboxylic acid 1,1-dioxide derivatives as anticancer agents targeting the RhoA/ROCK pathway	10
Development of PD3 and PD3-B for PDEδ inhibition to modulate KRAS activity	10
Styrylquinazoline derivatives as ABL inhibitors selective for different DFG orientations	10
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
New quinoline and isatin derivatives as apoptotic VEGFR-2 inhibitors: design, synthesis, anti-proliferative activity, docking, ADMET, toxicity, and MD simulation studies	9
Design, synthesis, and evaluation of novel benzoylhydrazone derivatives as Nur77 modulators with potent antitumor activity against hepatocellular carcinoma	9
Acetazolamide and human carbonic anhydrases: retrospect, review and discussion of an intimate relationship	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
Synthesis, biological evaluation and theoretical studies of ( E )-1-(4-sulfamoyl-phenylethyl)-3-arylidene-5-aryl-1H-pyrrol-2(3H)-ones as human carbonic anhydrase inhibit	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 and	9
Correction	9
Correction	9
Discovery of new thymol-3,4-disubstituted thiazole hybrids as dual COX-2/5-LOX inhibitors with in vivo proof	9
Curcumin analogues exert potent inhibition on human and rat gonadal 3β-hydroxysteroid dehydrogenases as potential therapeutic agents: structure-activity relationship and in silico docking	9
TXNIP inhibition in the treatment of type 2 diabetes mellitus: design, synthesis, and biological evaluation of quinazoline derivatives	9
2-Aminobenzoxazole-appended coumarins as potent and selective inhibitors of tumour-associated carbonic anhydrases	9
In silico identification and biological evaluation of a selective MAP4K4 inhibitor against pancreatic cancer	9
27-Hydroxycholesterol in cancer development and drug resistance	9
Predicting potentially pathogenic effects of h RPE65 missense mutations: a computational strategy based on molecular dynamics simulations	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
Indirubin-3′-oxime as a dual-action agent: mitigating heat-induced male infertility in Drosophila melanogaster and inhibiting soluble epoxide hydrolase	9
Inhibitors of phosphoinositide 3-kinase (PI3K) and phosphoinositide 3-kinase-related protein kinase family (PIKK)	9
Discovery of a new class of triazole based inhibitors of acetyl transferase KAT2A	9
Discovery and SAR analysis of 5-chloro-4-((substituted phenyl)amino)pyrimidine bearing histone deacetylase inhibitors	9
Structure-guided approach on the role of substitution on amide-linked bipyrazoles and its effect on their anti-inflammatory activity	9
Discovery of novel conjugates of quinoline and thiazolidinone urea as potential anti-colorectal cancer agent	9
Liquidambaric acid as a non-competitive α-glucosidase inhibitor: multi-level evidence from enzyme kinetics, molecular docking, molecular dynamics simulations, and a Drosophila	9
Repurposing FDA-approved sulphonamide carbonic anhydrase inhibitors for treatment of Neisseria gonorrhoeae	9
Design and synthesis of benzodiazepines as brain penetrating PARP-1 inhibitors	9
Investigation of the inhibitory properties of azo-dyes on chorismate synthase from Paracoccidioides brasiliensis	9
Oxidation of flavonoids by tyrosinase and by o -quinones–comment on "Flavonoids as tyrosinase inhibitors in in silico and i	9
Privileged multi-target directed propargyl-tacrines combining cholinesterase and monoamine oxidase inhibition activities	9
Rational design of biodegradable sulphonamide candidates treating septicaemia by synergistic dual inhibition of COX-2/PGE2 axis and DHPS enzyme	9
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
Novel amides of mycophenolic acid and some heterocyclic derivatives as immunosuppressive agents	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
Identification and evaluation of antiviral activity of novel compounds targeting SARS-CoV-2 virus by enzymatic and antiviral assays, and computational analysis	8
Discovery of pyrimidine-tethered benzothiazole derivatives as novel anti-tubercular agents towards multi- and extensively drug resistant Mycobacterium tuberculosis	8
Discovery of caffeoylisocitric acid as a Keap1-dependent Nrf2 activator and its effects in mesangial cells under high glucose	8
Synthesis and antimicrobial activity of aminoalkyl resveratrol derivatives inspired by cationic peptides	8
Design and synthesis of benzothiazole-based SLC-0111 analogues as new inhibitors for the cancer-associated carbonic anhydrase isoforms IX and XII	8
The discovery of a novel series of potential ERRα inverse agonists based on p-nitrobenzenesulfonamide template for triple-negative breast cancer in vivo	8
Design, synthesis, and evaluation of novel stilbene derivatives that degrade acidic nucleoplasmic DNA-binding protein 1 (And1) and synergize with PARP1 inhibitor in NSCLC cells	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
First studies on tumor associated carbonic anhydrases IX and XII monoclonal antibodies conjugated to small molecule inhibitors	8
Design, synthesis, and biological evaluation of novel carbazole derivatives as potent DNMT1 inhibitors with reasonable PK properties	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
New pyrazolylpyrazoline derivatives as dual acting antimalarial-antileishamanial agents: synthesis, biological evaluation and molecular modelling simulations	8
Identification of broad-spectrum M pro inhibitors: a focus on high-risk coronaviruses and conserved interactions	8
Discovery of new 6-ureido/amidocoumarins as highly potent and selective inhibitors for the tumour-relevant carbonic anhydrases IX and XII	8
Activity guided discovery of dual inhibitors of α-glucosidase and β-glucuronidase from the leaves of Millettia pachycarpa Benth	8