Medicinal Chemistry Research

Article	Citations
Synthesis, characterization and in vitro antitumor activity of asiatic acid derivatives	109
Potent α-glucosidase inhibitory activity of inoscavin A from fruiting bodies of Fulvifomes fastuosus: Mechanism of action, molecular docking and ADMET	96
Targeting cAMP signaling and phosphodiesterase 4 for liver disease treatment	81
Computer-aided design, synthesis and evaluation of new SARS-CoV-2 Mpro inhibitors based on 1,5,6,7-tetrahydro-4H-indazol-4-one scaffold	78
Design, synthesis, and antitumor activity evaluation of carbazole derivatives with potent HDAC inhibitory activity	67
Carbamoyl flavonoids as dual inhibitors of acetylcholinesterase and monoacylglycerol lipase: synthesis, in vitro evaluation, and computational studies	62
Evaluation of a series of nucleoside analogs as effective anticoronaviral-2 drugs against the Omicron-B.1.1.529/BA.2 subvariant: A repurposing research study	55
Novel imino-thiazoloquinoxaline derivatives against renal cell carcinoma: less radiation-damaging approach	55
Bio-guided isolation of anti-Alzheimer’s compounds from Phyllanthus niruri and role of niruriflavone in the reversal of aluminum chloride-induced neurobehavioral and biochemical changes in an animal m	54
Antibacterial, antifungal activities and toxicity of new synthetic fatty acid salicylate esters	52
Synthesis of the dibenzylbutane lignan LCA derivatives and evaluation of their anti-inflammatory activities	46
Synthesis of novel benzothieno-[3,2’-f][1,3] oxazepines and their isomeric 2-oxo-2H-spiro[benzothiophene-3,3’-pyrrolines] via 1,4-dipolar cycloaddition reaction and their evaluation as cytotoxic antic	44
Structural simplification and ester bond flipping lead to bis-benzodioxole derivatives as potential hypolipidemic and hepatoprotective agent	44
Design, synthesis and anti-breast cancer properties of butyric ester tethered dihydroartemisinin-isatin hybrids	42
Anticancer activity of amide and ester derivatives of the ent-labdane 2α-hydroxyeperuic acid obtained via sonochemical synthesis	40
Glutathione and glutathione disulfide – their biomedical and pharmaceutical applications	39
Monoamine oxidase inhibition by thiazole derivatives substituted with the benzenesulfonamide moiety	39
Synthesis of berberine derivatives and their antiviral activity toward respiratory syncytial virus	36
Asciminib: first FDA approved allosteric inhibitor of BCR-ABL1 for the treatment of chronic myeloid leukemia	36
Synthesis of tetrahydro-β-carboline analogs with N11 modifications and study of their antimalarial activities	35
Screening of small molecule compounds targeting hnRNPA2 protein	34
Design and synthesis of diphenyl-1H-imidazole analogs targeting Mpro/3CLpro enzyme of SARS-CoV-2	33
Contrasting effect of different crowding agents on pseudoknot RNA stability	31
Plant-derived pyroptosis inducers as a therapeutic strategy in drug-resistant cancers	30
A versatile strategy for the synthesis of various lumazine peptides	29

Evaluation of benzoylacetonitriles as novel anti-neuroinflammatory agents	26
Utilizing mechanistic organic chemistry training to study drug metabolism in preclinical drug discovery/development	24
4’-Thionucleosides as adenosine A3 receptor ligands: a medicinal chemistry perspective	23
Discovery of 3-(N-phenylsulfamoyl)-l-phenylalanine derivatives as novel and orally available LAT1-selective inhibitors	22
Synthesis, crystal structure, and anticancer activity of organotin(IV) complexes based on chlorine substituted aryl ligands	22
Synthesis and antihepatoma activity of dimeric 1-O-acetylbritannilactone derivatives	21
Pyrrolobenzodiazepines: natural sources, therapeutic uses, and future in neurological treatments	21
Enantioselectivity of pinene against Leishmania amazonensis	21
Alisols A-C and their acetate derivatives: a review of natural occurrence, pharmacology, semisynthesis, pharmacokinetics, and metabolism	20
Recent advances in triazole-benzenesulfonamide hybrids and their biological activities	20
Design, Synthesis, and biological evaluation of pyrazolo-benzothiazole derivatives as a potential therapeutic agent for the treatment of Alzheimer’s disease	20
Medicinal uses, phytochemistry, pharmacology, and taxonomy of Poygonum aviculare L.: a comprehensive review	19
Synthesis of nitrogen-containing oleanolic acid derivatives as carbonic anhydrase and acetylcholinesterase inhibitors	19
α-Glucosidase inhibitory activities of aromatic compounds from the rhizomes of Alpinia galanga	18
Pks 13 inhibitors—a promising target for future antitubercular agents	18
Synthetic studies toward a simplified eleuthoside core	18
Synthesis, inhibition effects, molecular docking and theoretical studies as Paraoxonase 1 (PON1) inhibitors of novel 1,4-dihydropyridine substituted sulfonamide derivatives	18
Dual-PROTACs based on natural product derivative potassium dehydrographolide succinate: design, synthesis, and antitumor activity of a novel EGFR degrader	18
Polyketides from Neohelicosporium griseum: structure assignment and bioactivity investigation	18
Exploring thiazole-linked thioureas using alkaline phosphatase assay, biochemical evaluation, computational analysis and structure–activity relationship (SAR) studies	17
Role of natural secondary metabolites as HIF-1 inhibitors in cancer therapy	17
Synthesis, bacteria activity and molecular simulation of D-galactose-conjugated thiosemicarbazones of 3-aryl-4-formylsydnones	17
Design, synthesis and evaluation of salicylic acid-donepezil hybrids as functional agents for the treatment of Alzheimer’s disease	17
Acylhydrobenzoquinones influence the susceptibility of Staphylococcus aureus towards abietanes and the speciation within Plectranthus sensus lato	16
Design, synthesis and insecticidal activities of novel meta-diamide compounds containing ethyl group	16
Synthesis and in vitro anti-trypanosomal evaluation of quinolone hydrazide analogues	16
Synthesis and biological evaluation of esculetin derivatives as potential anti-HBV agents	16
Novel indanone-chalcone esters with potential anti-Alzheimer effects designed using hybridization and bioisosteric replacement approaches	15
Novel conjugated 5-alkenyl rhodanine tethered 1,4-benzodioxane derivatives as dual-chitinases inhibitors to hinder the growth of Asian corn borer	15
Design, synthesis, and activity study of heterocyclic derivatives as JAK inhibitors	15
Development of new donepezil analogs: synthesis, biological screening and in silico study rational	15
1,2,3-triazenes and 1,2,3-triazoles as antileishmanial, antitrypanosomal, and antiplasmodial agents	14
Synthesis and biological evaluation of coumarin derivatives as anti-lung adenocarcinoma agents via induction of apoptosis and autophagy: in vitro and in vivo studies	14
A Click Synthesis, Molecular Docking and Biological Evaluation of 1,2,3-triazoles-benzoxazepine hybrid as potential anticancer agents	14
Molecular hybridization method for obtaining paeonol-based fibrate derivatives with potent lipid-lowering and hepatoprotective activity	14
Dual-target inhibitors based on brpf1: a review from medicinal chemistry perspectives	13
Antitumor studies on celastrol and its derivatives as RORα agonists and RORγ inhibitors based on Alphafold reverse docking strategy	13
New structural scaffold discovery via fragment-based drug design: Hydroxymethyl indazole derivatives as XOR/URAT1 dual inhibitors	13
In vitro cytotoxicity evaluation of triphenylphosphonium (TPP) conjugates of some acetylenated nucleic bases and their analogues	13
Synthesis, antiviral evaluation, molecular docking study and cytotoxicity of 5′-phosphorylated 1,2,3-triazolyl nucleoside analogues with thymine and 6-methyl uracil moieties	13
Novel 2-aminopyrimidine Schiff bases as possible GABA-AT inhibitors: molecular docking, MAOS, and pharmacological screening	12
Rehmannia glutinosa polysaccharides: a review on structure-activity relationship and biological activity	12
Discovery of quinazoline-based derivatives as novel autophagy inhibitors in pancreatic cancer	12
Design, synthesis and antitumor activity evaluation of 2,4,6-trisubstituted quinazoline derivatives containing piperidine moiety	12
Synthesis and biological evaluation of triazole alcohols containing an indole-3-methyl(phenyl)amino side chain against fluconazole-resistant Candida albicans	12
A comprehensive review of 11C-, 18F-, and 123/124/125I-labeled radiotracers targeting cyclooxygenase-2 over the past two decades	12
Synthesis, characterization, and anticancer activity of syringaldehyde-derived chalcones against female cancers	12
Synthesis and biological assessment of triazolo-quinazoline carbothioamide derivatives for p38 MAP kinase inhibition: in-silico and in-vitro approaches	12
The metabolic fate of izencitinib, a gut-selective pan-JAK inhibitor, in humans. Identification of unusual fecal metabolites and implications for MIST evaluation	12
Dynamic tail amine interactions drive isoform selectivity for potent human neuronal nitric oxide synthase inhibitors	11

Insights on synthetic strategies and structure-activity relationship of donepezil and its derivatives	11
Development of new coumarin-piperazine-N-phenylacetamid derivatives as potent tyrosinase inhibitors: In vitro and in silico evaluations	11
Designations of new biological drugs	11
A fast high-throughput logP estimation method for peptide molecules based on liquid chromatography-mass spectrometry method	11
Glycyrrhizin and its derivatives: an emerging secondary metabolite arsenal of Glycyrrhiza glabra	11
Antivirulence therapy: type IV pilus as a druggable target for bacterial infections	11
Design, synthesis and evaluation of aurone and indanone derivatives as novel antitumor agents	11
Site-Specific incorporation of lysine acetyl-methylation into proteins	11
Biological evaluation of imidazopyridine derivatives as potential anticancer agents against breast cancer cells	10
Antiproliferative effect, cell cycle arrest and apoptosis generation of novel 6-substituted N5-formyltetrahydropyrido[3,2-d]pyrimidine derivatives	10
Discovery of novel HCV inhibitors: design, synthesis and biological activity of phthalamide derivatives	10
Structural modification of (‒)-xanthorrhizol isolated from Curcuma aromatica rhizomes to analogs with potent nitric oxide inhibitory activities	10
A potent therapeutic scaffold fusing quinazolinone/melatonin for future colorectal cancer interventions: design, one-pot synthesis, biological and ADME-tox modeling studies	10
Kaempferia diterpenoids and flavonoids: an overview on phytochemistry, biosynthesis, synthesis, pharmacology, and pharmacokinetics	10
Discovery of novel pterostilbene/biphenyl tethered 5-FU based conjugates targeting colorectal cancer: synthesis, cytotoxic and ADMET modeling studies	10
Investigation of reported small molecule P2Y6 receptor antagonists	10
Synthesis and pharmacological evaluation of new disulfides linked to 1,2,4-triazole bearing urea moiety	10
Synthesis and in vitro biological activity of chalcone derivatives as potential antiparasitic agents	10
Discovery of potent maternal embryonic leucine zipper kinase (MELK) inhibitors of novel chemotypes using structure-based pharmacophores	9
Design, synthesis and molecular docking studies of novel benzimidazole-1,3,4-oxadiazole hybrids for their carbonic anhydrase inhibitory and antioxidant effects	9
Stable isotope applications in drug development and the elucidation of mechanisms of drug metabolism	9
Lipase inhibitory activity of constituents of Physalis glutinosa and Physalis latiphysa	9
Discovery of α-methylene-γ-lactone-δ-epoxy derivatives with anti-cancer activity: synthesis, SAR study, and biological activity	9
CYP3A4 drug metabolism considerations in pediatric pharmacotherapy	9
Synthesis and inhibitory activity against enzymes responsible for Type 2 diabetes mellitus of lactose-conjugated thiosemicarbazones from substituted acetophenones	9
Advances in quercetin-based therapeutics for breast cancer: natural, synthetic, and nanotechnology-driven approaches	9
Synthesis, in vitro activity, and molecular docking of caffeic acid and resveratrol derivatives against Alzheimer’s disease-related enzymes	9
Pharmacological assessment of disulfide–triazine hybrids: synthesis, enzyme inhibition, and molecular docking study	9
Discovery of mobocertinib, a new irreversible tyrosine kinase inhibitor indicated for the treatment of non-small-cell lung cancer harboring EGFR exon 20 insertion mutations	9
From empirical screening to lipid trolling: the evolution of extrahelical allosteric modulators of A1 and A3 adenosine receptors	9
Synthesis of 6-dialkylaminopyrimidine carboxamide analogues and their anti-tubercular properties	8
Unrevealing the Role of Flavonoids in Mitigation of Non-Alcoholic Fatty Liver Disease	8
Synthesis, theoretical investigations and biological evaluation of ibuprofen drug hybrids	8
Sulfonamide-substituted oxindoles as inhibitors of carbonic anhydrase II with potential antiglaucoma activity	8
Design, synthesis, in vitro evaluation, and molecular dynamics simulation studies of novel coumarin-acetohydrazide Schiff base derivatives as urease enzyme inhibitors	8
Engelheptanoxides behave as liver X receptor α agonists	8
Molecular sonification: a multi-modal approach for enhanced ai in drug discovery	8
Synthesis and evaluation of tetrahydrobenzo[cd]indole derivatives as glycogen phosphorylase inhibitors	8
Design, synthesis, and neuroprotective activity of salidroside-based dual inhibitors of selective monoamine oxidase B and amyloid-β aggregation	8
The potential of chalcone derivatives as human carbonic anhydrase inhibitors in the therapy of glaucoma	8
Integrated 3D-QSAR and cellular profiling of sulfated and hydrophobic aminoglycoside glycans to modulate heparanase activity	8
Hit-to-lead optimization of amino-carboxamide benzothiazoles as LSD1 inhibitors	8
The emerging role of proteolysis targeting chimeras (PROTACs) in the treatment of Alzheimer’s disease	8
Synthesis, structure-activity relationship and evaluation of antifungal activity of tryptanthrin derivatives against drug-resistant Candida albicans	8
4-Phenylcoumarins from Mesua ferrea with selective CYP1B1 inhibitory activity	8
In silico drug discovery: a machine learning-driven systematic review	8
The potential of major kavalactones in modulating cytochrome P450 enzymes	8
Sphingosine 1-phosphate receptor modulators for the treatment of inflammatory bowel disease and other immune-mediated diseases	8
Design, synthesis, stereochemical characterization, in vitro α-glucosidase, and α-amylase inhibition and in silico studies of novel pyrazole-hydrazide hydrazones	8
In vitro antiproliferative activity of Parrotia persica exclusive gallotannin	8
Does the negatively charged phosphate backbone contribute to stabilize the complex between cationic organic molecules and G-quadruplex structures? From guessing to calculating	8
Exploring the latest breakthroughs in rhodesain inhibitors for African trypanosomiasis	7
Translating G-quadruplex ligands from bench to bedside: a Stephen Neidle’s legacy	7
CO as a potential therapeutic agent: an initial investigation of dosing and concentration dynamics in solution	7
Piperazine derivatives as anticancer agents: a medicinal chemistry review of structure, mechanism, and clinical translation	7
Novel P2X4 Receptor Antagonist MRS4719 Improves Ischemia/reperfusion Injury in Mice	7
ATP-hydrolyzing, DNA-damaging and cytotoxic activities of peptide-targeted cobalt(III) complex with diethylentriamine	7
Natural products in medicinal chemistry: targeting inflammatory pathways with plant-derived compounds	7
Tropanes in natural products, syntheses, and drugs: some insights from the new millennium	7
A glance into Schiff-based α-glucosidase inhibitors in medicinal chemistry	7
Identification of α-mangostin as a potent inhibitor of β-lactamase OXA-48	7
The use of single-molecule FRET for the characterization of Holliday junctions containing human telomeric DNA: a methodological approach for nanoscale distance, mobility, and stability measurements	7
Discovery and development of inhibitors of heat shock factor 1 by a fluorescence polarization assay	7
Synthesis, characterization and biological evaluation of formononetin derivatives as anticancer agents	7
Ferrocene-based compounds: promising anticancer and antimalarial agents in modern therapeutics	7
Structural optimization and biological evaluation of quinoline/naphthalene-based glyoxalase-I inhibitors as anti-cancer candidates	7
Glycosylated triptolide affords a potent in vivo therapeutic activity to hepatocellular carcinoma in mouse model	7
Anticancer potential of nicotinonitrile derivatives as PIM-1 kinase inhibitors through apoptosis: in vitro and in vivo studies	7
Research progress on antidiabetic activity of apigenin derivatives	7
Synthesis, pharmacological and molecular docking investigations of 1,3,4-oxadiazole-5-thionyl derivatives of extracted cis-clerodane diterpenoid from Cistus monspeliensis	7
Discovery of phenylacetamide derivatives as novel STAT3 antagonists	7
Acetylcholinesterase Inhibitors from Carbamate and Benzo-fused Heterocyclic Scaffolds: Promising Therapeutics for Alzheimer’s Disease	7
Novel vitamin K3 analogs containing 3-N-substituted aromatic and piperazine rings with selective in vitro anticancer activity against HeLa, U87 MG, and MCF-7 cells	6
SARS-CoV-2 3CL-protease inhibitors derived from ML300: investigation of P1 and replacements of the 1,2,3-benzotriazole	6
Synthesis of simplified didehydro-cortistatin A derivatives as anti-proliferative agents	6
Bioassay-guided fractionations of Cannabis sativa extract and HPLC-assisted purifications of anti-proliferative active fractions lead to the isolation of 16 known and one new phytomolecule and their i	6
Design, synthesis, and fungicidal activity of pyrimidinamine derivatives containing pyridin-2-yloxy moiety	6
Synthesis and anti-leishmanial activities of uniflorol analogues	6
Correction: Substituted furan-carboxamide and Schiff base derivatives as potential hypolipidemic compounds: evaluation in Triton WR-1339 hyperlipidemic rat model	6
Promising Schiff bases in antiviral drug design and discovery	6

Inactivation of ornithine aminotransferase by (1R,4S)-4-Amino-3-(trifluoromethyl)cyclopent-2-ene-1-carboxylic acid via a stable quinonoid intermediate	6
Esters and amides of benzofuroxan-1-N–oxide derivatives as trypanocidal and leishmanicidal agents	6
Hybrid-based design and biological evaluation of quinoline-benzoylhydrazine based derivatives as α-glucosidase inhibitors	6
Lenacapavir, a first-in-class, long-acting capsid inhibitor approved for both HIV-1 treatment and prevention	6
New tetracyclic systems integrated thienopyridine scaffold as an anti-dementia lead: in silico study and biological screening	6
An in vitro and in silico α-amylase/α-glucosidase/protein tyrosine phosphatase 1 beta & radical scavenging profiling of the 3,5,7-tricarbo substituted 1H-indazoles	6
Prenylated flavonoids icariin and icaritin for drug discovery: structural modifications and bioactivity studies	6
The emergence of sulfo-click amidation in kinetic target-guided synthesis	6
Withania coagulans: a comprehensive exploration of its botanical, phytochemical, and pharmacological properties	6
Naturally occurring plant-derived sulfonated and sulfated saponins from 1983 to 2024	6
New indolo-β-lactam hybrids as potential anticancer and anti-inflammatory agents	6
Benzocaine-N-acylindoline conjugates: synthesis and antiviral activity against Coxsackievirus B3	6
Optimization of clofibrate with natural product sesamol for reducing liver injury induced by acetaminophen	6
Underpinning the role of natural products against cisplatin-induced nephrotoxicity in rodent models	6
Harnessing the necessary nitrogen atom in chemical biology and drug discovery	6
Substituted furan-carboxamide and Schiff base derivatives as potential hypolipidemic compounds: evaluation in Triton WR-1339 hyperlipidemic rat model	6
Design and synthesis of novel cycloalkanecarboxamide parabanic acid hybrids as anticonvulsants	6
Novel Benzo[4,5]imidazo[1,2-a]pyrimidine derivatives as selective Cyclooxygenase-2 Inhibitors: Design, synthesis, docking studies, and biological evaluation	6
Investigation of the monoamine oxidase inhibition properties of benzoxathiolone derivatives	6
Siderophore–Porphyrin conjugates for bacteria-selective antimicrobial photodynamic therapy	6
A second life for the crystallographic structure of Berenil-dodecanucleotide complex: a computational revisitation thirty years after its publication	6
Translational insights from species differences in the metabolism of triclosan	6
Development of novel fluoro-substituted rivastigmine derivatives as selective AChE inhibitors for the treatment of AD	6
CO prodrugs: a new scaffold of adamantane-fused norbornen-7-ones with tunable water solubility	6