Medicinal Chemistry Research

Article	Citations
Synthesis, characterization and in vitro antitumor activity of asiatic acid derivatives	118
Potent α-glucosidase inhibitory activity of inoscavin A from fruiting bodies of Fulvifomes fastuosus: Mechanism of action, molecular docking and ADMET	103
Targeting cAMP signaling and phosphodiesterase 4 for liver disease treatment	88
Synthesis and antitumor activity evaluation in vitro of 4-aminoquinazoline derivatives containing 1,3,4-thiadiazole	77
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	66
Structural simplification and ester bond flipping lead to bis-benzodioxole derivatives as potential hypolipidemic and hepatoprotective agent	61
Design, synthesis, and antitumor activity evaluation of carbazole derivatives with potent HDAC inhibitory activity	58
Carbamoyl flavonoids as dual inhibitors of acetylcholinesterase and monoacylglycerol lipase: synthesis, in vitro evaluation, and computational studies	53
Antibacterial, antifungal activities and toxicity of new synthetic fatty acid salicylate esters	50
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	50
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	45
Asciminib: first FDA approved allosteric inhibitor of BCR-ABL1 for the treatment of chronic myeloid leukemia	43
Synthesis of the dibenzylbutane lignan LCA derivatives and evaluation of their anti-inflammatory activities	38
Anticancer activity of amide and ester derivatives of the ent-labdane 2α-hydroxyeperuic acid obtained via sonochemical synthesis	37
Synthesis of berberine derivatives and their antiviral activity toward respiratory syncytial virus	37
Design, synthesis and anti-breast cancer properties of butyric ester tethered dihydroartemisinin-isatin hybrids	35
Novel imino-thiazoloquinoxaline derivatives against renal cell carcinoma: less radiation-damaging approach	35
Monoamine oxidase inhibition by thiazole derivatives substituted with the benzenesulfonamide moiety	35
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	34
Glutathione and glutathione disulfide – their biomedical and pharmaceutical applications	34
Screening of small molecule compounds targeting hnRNPA2 protein	33
Synthesis of tetrahydro-β-carboline analogs with N11 modifications and study of their antimalarial activities	33
Design and synthesis of diphenyl-1H-imidazole analogs targeting Mpro/3CLpro enzyme of SARS-CoV-2	32
Plant-derived pyroptosis inducers as a therapeutic strategy in drug-resistant cancers	30
Contrasting effect of different crowding agents on pseudoknot RNA stability	30

Utilizing mechanistic organic chemistry training to study drug metabolism in preclinical drug discovery/development	29
Evaluation of benzoylacetonitriles as novel anti-neuroinflammatory agents	29
A versatile strategy for the synthesis of various lumazine peptides	29
Synthesis and antihepatoma activity of dimeric 1-O-acetylbritannilactone derivatives	27
4’-Thionucleosides as adenosine A3 receptor ligands: a medicinal chemistry perspective	24
Design, Synthesis, and biological evaluation of pyrazolo-benzothiazole derivatives as a potential therapeutic agent for the treatment of Alzheimer’s disease	23
Synthesis of nitrogen-containing oleanolic acid derivatives as carbonic anhydrase and acetylcholinesterase inhibitors	20
Synthesis, crystal structure, and anticancer activity of organotin(IV) complexes based on chlorine substituted aryl ligands	20
Pyrrolobenzodiazepines: natural sources, therapeutic uses, and future in neurological treatments	20
Recent advances in triazole-benzenesulfonamide hybrids and their biological activities	20
Enantioselectivity of pinene against Leishmania amazonensis	19
Medicinal uses, phytochemistry, pharmacology, and taxonomy of Poygonum aviculare L.: a comprehensive review	19
Discovery of 3-(N-phenylsulfamoyl)-l-phenylalanine derivatives as novel and orally available LAT1-selective inhibitors	19
Synthesis, inhibition effects, molecular docking and theoretical studies as Paraoxonase 1 (PON1) inhibitors of novel 1,4-dihydropyridine substituted sulfonamide derivatives	18
Synthetic studies toward a simplified eleuthoside core	18
Dual-PROTACs based on natural product derivative potassium dehydrographolide succinate: design, synthesis, and antitumor activity of a novel EGFR degrader	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
α-Glucosidase inhibitory activities of aromatic compounds from the rhizomes of Alpinia galanga	17
1,2,3-triazenes and 1,2,3-triazoles as antileishmanial, antitrypanosomal, and antiplasmodial agents	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
Synthesis and in vitro anti-trypanosomal evaluation of quinolone hydrazide analogues	16
Design, synthesis and insecticidal activities of novel meta-diamide compounds containing ethyl group	16
Synthesis and biological evaluation of esculetin derivatives as potential anti-HBV agents	16
Pks 13 inhibitors—a promising target for future antitubercular agents	16
Novel indanone-chalcone esters with potential anti-Alzheimer effects designed using hybridization and bioisosteric replacement approaches	16
Polyketides from Neohelicosporium griseum: structure assignment and bioactivity investigation	16
Molecular hybridization method for obtaining paeonol-based fibrate derivatives with potent lipid-lowering and hepatoprotective activity	15
Development of new donepezil analogs: synthesis, biological screening and in silico study rational	15
A Click Synthesis, Molecular Docking and Biological Evaluation of 1,2,3-triazoles-benzoxazepine hybrid as potential anticancer agents	15
Novel conjugated 5-alkenyl rhodanine tethered 1,4-benzodioxane derivatives as dual-chitinases inhibitors to hinder the growth of Asian corn borer	15
In vitro cytotoxicity evaluation of triphenylphosphonium (TPP) conjugates of some acetylenated nucleic bases and their analogues	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
Antitumor studies on celastrol and its derivatives as RORα agonists and RORγ inhibitors based on Alphafold reverse docking strategy	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
A potent therapeutic scaffold fusing quinazolinone/melatonin for future colorectal cancer interventions: design, one-pot synthesis, biological and ADME-tox modeling studies	13
Synthesis and biological evaluation of triazole alcohols containing an indole-3-methyl(phenyl)amino side chain against fluconazole-resistant Candida albicans	13
Synthesis, characterization, and anticancer activity of syringaldehyde-derived chalcones against female cancers	13
Antivirulence therapy: type IV pilus as a druggable target for bacterial infections	13
Design, synthesis and evaluation of aurone and indanone derivatives as novel antitumor agents	13
Biological evaluation of imidazopyridine derivatives as potential anticancer agents against breast cancer cells	13
The metabolic fate of izencitinib, a gut-selective pan-JAK inhibitor, in humans. Identification of unusual fecal metabolites and implications for MIST evaluation	12
New structural scaffold discovery via fragment-based drug design: Hydroxymethyl indazole derivatives as XOR/URAT1 dual inhibitors	12
A fast high-throughput logP estimation method for peptide molecules based on liquid chromatography-mass spectrometry method	12
Dual-target inhibitors based on brpf1: a review from medicinal chemistry perspectives	12
Synthesis and biological assessment of triazolo-quinazoline carbothioamide derivatives for p38 MAP kinase inhibition: in-silico and in-vitro approaches	11
Designations of new biological drugs	11
Design, synthesis and antitumor activity evaluation of 2,4,6-trisubstituted quinazoline derivatives containing piperidine moiety	11

Site-Specific incorporation of lysine acetyl-methylation into proteins	11
Rehmannia glutinosa polysaccharides: a review on structure-activity relationship and biological activity	11
Discovery of quinazoline-based derivatives as novel autophagy inhibitors in pancreatic cancer	11
Dynamic tail amine interactions drive isoform selectivity for potent human neuronal nitric oxide synthase inhibitors	11
Novel 2-aminopyrimidine Schiff bases as possible GABA-AT inhibitors: molecular docking, MAOS, and pharmacological screening	11
Glycyrrhizin and its derivatives: an emerging secondary metabolite arsenal of Glycyrrhiza glabra	11
Discovery of α-methylene-γ-lactone-δ-epoxy derivatives with anti-cancer activity: synthesis, SAR study, and biological activity	10
Development of new coumarin-piperazine-N-phenylacetamid derivatives as potent tyrosinase inhibitors: In vitro and in silico evaluations	10
Polyalthia longifolia: phytochemistry, ethnomedicinal importance, nutritive value, and pharmacological activities review	10
Discovery of novel HCV inhibitors: design, synthesis and biological activity of phthalamide derivatives	10
A comprehensive review of 11C-, 18F-, and 123/124/125I-labeled radiotracers targeting cyclooxygenase-2 over the past two decades	10
Kaempferia diterpenoids and flavonoids: an overview on phytochemistry, biosynthesis, synthesis, pharmacology, and pharmacokinetics	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	10
Insights on synthetic strategies and structure-activity relationship of donepezil and its derivatives	10
CYP3A4 drug metabolism considerations in pediatric pharmacotherapy	10
Antiproliferative effect, cell cycle arrest and apoptosis generation of novel 6-substituted N5-formyltetrahydropyrido[3,2-d]pyrimidine derivatives	10
Discovery of novel pterostilbene/biphenyl tethered 5-FU based conjugates targeting colorectal cancer: synthesis, cytotoxic and ADMET modeling studies	10
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
Synthesis, in vitro activity, and molecular docking of caffeic acid and resveratrol derivatives against Alzheimer’s disease-related enzymes	9
Assessment of the α-glucosidase and α-amylase inhibitory potential of Paliurus spina-christi Mill. and its terpenic compounds	9
Pharmacological assessment of disulfide–triazine hybrids: synthesis, enzyme inhibition, and molecular docking study	9
Tranilast-tyrosine hybrid molecule exhibits dual activity: suppression of epithelial-mesenchymal transition and induction of cytotoxicity in cancer cells	9
Structural modification of (‒)-xanthorrhizol isolated from Curcuma aromatica rhizomes to analogs with potent nitric oxide inhibitory activities	9
Design, synthesis and molecular docking studies of novel benzimidazole-1,3,4-oxadiazole hybrids for their carbonic anhydrase inhibitory and antioxidant effects	9
Design, synthesis, and neuroprotective activity of salidroside-based dual inhibitors of selective monoamine oxidase B and amyloid-β aggregation	9
Design, synthesis, stereochemical characterization, in vitro α-glucosidase, and α-amylase inhibition and in silico studies of novel pyrazole-hydrazide hydrazones	8
Integrated 3D-QSAR and cellular profiling of sulfated and hydrophobic aminoglycoside glycans to modulate heparanase activity	8
Discovery of novel acridine-chalcone hybrids with potent DNA binding and antiproliferative activity against MDA-MB-231 and MCF-7 cells	8
Synthesis and inhibitory activity against enzymes responsible for Type 2 diabetes mellitus of lactose-conjugated thiosemicarbazones from substituted acetophenones	8
The potential of major kavalactones in modulating cytochrome P450 enzymes	8
Hit-to-lead optimization of amino-carboxamide benzothiazoles as LSD1 inhibitors	8
Advances in quercetin-based therapeutics for breast cancer: natural, synthetic, and nanotechnology-driven approaches	8
Sulfonamide-substituted oxindoles as inhibitors of carbonic anhydrase II with potential antiglaucoma activity	8
The potential of chalcone derivatives as human carbonic anhydrase inhibitors in the therapy of glaucoma	8
From empirical screening to lipid trolling: the evolution of extrahelical allosteric modulators of A1 and A3 adenosine receptors	8
Synthesis, theoretical investigations and biological evaluation of ibuprofen drug hybrids	8
In silico drug discovery: a machine learning-driven systematic review	8
Unrevealing the Role of Flavonoids in Mitigation of Non-Alcoholic Fatty Liver Disease	8
Sphingosine 1-phosphate receptor modulators for the treatment of inflammatory bowel disease and other immune-mediated diseases	8
Stable isotope applications in drug development and the elucidation of mechanisms of drug metabolism	8
Lipase inhibitory activity of constituents of Physalis glutinosa and Physalis latiphysa	8
4,5-diazafenylfluorene-rhodanine conjugates promote anoikis in A375 cells via inhibiting PPAR-γ expression	8
Synthesis and evaluation of tetrahydrobenzo[cd]indole derivatives as glycogen phosphorylase inhibitors	7
The emerging role of proteolysis targeting chimeras (PROTACs) in the treatment of Alzheimer’s disease	7
Natural products in medicinal chemistry: targeting inflammatory pathways with plant-derived compounds	7
Synthesis, structure-activity relationship and evaluation of antifungal activity of tryptanthrin derivatives against drug-resistant Candida albicans	7
Glycosylated triptolide affords a potent in vivo therapeutic activity to hepatocellular carcinoma in mouse model	7
Synthesis of 6-dialkylaminopyrimidine carboxamide analogues and their anti-tubercular properties	7
Does the negatively charged phosphate backbone contribute to stabilize the complex between cationic organic molecules and G-quadruplex structures? From guessing to calculating	7
Ferrocene-based compounds: promising anticancer and antimalarial agents in modern therapeutics	7
Discovery of phenylacetamide derivatives as novel STAT3 antagonists	7
Engelheptanoxides behave as liver X receptor α agonists	7
4-Phenylcoumarins from Mesua ferrea with selective CYP1B1 inhibitory activity	7
Structural optimization and biological evaluation of quinoline/naphthalene-based glyoxalase-I inhibitors as anti-cancer candidates	7
CO as a potential therapeutic agent: an initial investigation of dosing and concentration dynamics in solution	7
Exploring the latest breakthroughs in rhodesain inhibitors for African trypanosomiasis	7
Molecular sonification: a multi-modal approach for enhanced ai in drug discovery	7
ATP-hydrolyzing, DNA-damaging and cytotoxic activities of peptide-targeted cobalt(III) complex with diethylentriamine	7
A glance into Schiff-based α-glucosidase inhibitors in medicinal chemistry	7
Synthesis, characterization and biological evaluation of formononetin derivatives as anticancer agents	7
In vitro antiproliferative activity of Parrotia persica exclusive gallotannin	7
Design, synthesis, in vitro evaluation, and molecular dynamics simulation studies of novel coumarin-acetohydrazide Schiff base derivatives as urease enzyme inhibitors	7
Synthesis, and docking studies of arylhydrazone compounds and evaluation of their platelet aggregation inhibitory effect and cytotoxicity	7
Anticancer potential of nicotinonitrile derivatives as PIM-1 kinase inhibitors through apoptosis: in vitro and in vivo studies	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
Tropanes in natural products, syntheses, and drugs: some insights from the new millennium	7
Acetylcholinesterase Inhibitors from Carbamate and Benzo-fused Heterocyclic Scaffolds: Promising Therapeutics for Alzheimer’s Disease	7
Design, synthesis and anti-tumor activity evaluation of 4,6,7-substitute quinazoline derivatives	6
Harnessing the necessary nitrogen atom in chemical biology and drug discovery	6
Discovery and development of inhibitors of heat shock factor 1 by a fluorescence polarization assay	6
Translating G-quadruplex ligands from bench to bedside: a Stephen Neidle’s legacy	6
Inactivation of ornithine aminotransferase by (1R,4S)-4-Amino-3-(trifluoromethyl)cyclopent-2-ene-1-carboxylic acid via a stable quinonoid intermediate	6
Translational insights from species differences in the metabolism of triclosan	6
Underpinning the role of natural products against cisplatin-induced nephrotoxicity in rodent models	6
Substituted furan-carboxamide and Schiff base derivatives as potential hypolipidemic compounds: evaluation in Triton WR-1339 hyperlipidemic rat model	6
CO prodrugs: a new scaffold of adamantane-fused norbornen-7-ones with tunable water solubility	6
Development of novel fluoro-substituted rivastigmine derivatives as selective AChE inhibitors for the treatment of AD	6
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

Prenylated flavonoids icariin and icaritin for drug discovery: structural modifications and bioactivity studies	6
Novel P2X4 Receptor Antagonist MRS4719 Improves Ischemia/reperfusion Injury in Mice	6
Synthesis, pharmacological and molecular docking investigations of 1,3,4-oxadiazole-5-thionyl derivatives of extracted cis-clerodane diterpenoid from Cistus monspeliensis	6
Benzocaine-N-acylindoline conjugates: synthesis and antiviral activity against Coxsackievirus B3	6
SARS-CoV-2 3CL-protease inhibitors derived from ML300: investigation of P1 and replacements of the 1,2,3-benzotriazole	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
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
Hybrid-based design and biological evaluation of quinoline-benzoylhydrazine based derivatives as α-glucosidase inhibitors	6
Esters and amides of benzofuroxan-1-N–oxide derivatives as trypanocidal and leishmanicidal agents	6
Lenacapavir, a first-in-class, long-acting capsid inhibitor approved for both HIV-1 treatment and prevention	6
Identification of α-mangostin as a potent inhibitor of β-lactamase OXA-48	6
New tetracyclic systems integrated thienopyridine scaffold as an anti-dementia lead: in silico study and biological screening	6
New indolo-β-lactam hybrids as potential anticancer and anti-inflammatory agents	6
Research progress on antidiabetic activity of apigenin derivatives	6
Design, synthesis, and fungicidal activity of pyrimidinamine derivatives containing pyridin-2-yloxy moiety	6
Novel Benzo[4,5]imidazo[1,2-a]pyrimidine derivatives as selective Cyclooxygenase-2 Inhibitors: Design, synthesis, docking studies, and biological evaluation	6
Naturally occurring plant-derived sulfonated and sulfated saponins from 1983 to 2024	6
Optimization of clofibrate with natural product sesamol for reducing liver injury induced by acetaminophen	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
Synthesis of simplified didehydro-cortistatin A derivatives as anti-proliferative agents	6