Chemical Biology & Drug Design

Article	Citations
Antioxidant activities and mechanisms of polysaccharides	99
Extraction, separation, modification, structural characterization, and antioxidant activity of plant polysaccharides	92
Alpha‐amylase as molecular target for treatment of diabetes mellitus: A comprehensive review	87
The recent challenges of highly contagious COVID‐19, causing respiratory infections: Symptoms, diagnosis, transmission, possible vaccines, animal models, and immunotherapy	81
1,3,4‐oxadiazole and its derivatives: A review on recent progress in anticancer activities	66
Caspase‐3: A primary target for natural and synthetic compounds for cancer therapy	64
Chromones: Privileged scaffold in anticancer drug discovery	45
Preparation, structure, and properties of tea polysaccharide	36
SARS‐CoV‐2 and its variants of concern including Omicron: A never ending pandemic	33
Deciphering the detailed structure–activity relationship of coumarins as Monoamine oxidase enzyme inhibitors—An updated review	33
Computational design and modeling of nanobodies toward SARS‐CoV‐2 receptor binding domain	33
Ginsenoside Rg1 improves Alzheimer's disease by regulating oxidative stress, apoptosis, and neuroinflammation through Wnt/GSK‐3β/β‐catenin signaling pathway	32
Repurposing potential of FDA‐approved and investigational drugs for COVID‐19 targeting SARS‐CoV‐2 spike and main protease and validation by machine learning algorithm	32
Therapeutic potential and pharmacological activities of β‐eudesmol	30
Application of molecular dynamics simulation in biomedicine	29
Recent advances in Bcr‐Abl tyrosine kinase inhibitors for overriding T315I mutation	27
Evolution of peptide nucleic acid with modifications of its backbone and application in biotechnology	25
Specific delivering of RNAi using Spike's aptamer‐functionalized lipid nanoparticles for targeting SARS‐CoV‐2: A strong anti‐Covid drug in a clinical case study	25
Antimicrobial and antiproliferative activities of novel synthesized 6‐(quinolin‐2‐ylthio) pyridine derivatives with molecular docking study as multi‐targeted JAK2/STAT3 inhibitors	25
Focal adhesion kinase—An emerging viable target in cancer and development of focal adhesion kinase inhibitors	24
Quinoline‐derivatives as privileged scaffolds for medicinal and pharmaceutical chemists: A comprehensive review	24
An overview on synthetic and pharmaceutical prospective of pyrido[2,3‐d]pyrimidines scaffold	23
Extraction, derivatization, and antioxidant activity of Morinda citrifolia polysaccharide	23
A minireview of 1,2,3‐triazole hybrids with O‐heterocycles as leads in medicinal chemistry	22
Pyrimidine: An elite heterocyclic leitmotif in drug discovery‐synthesis and biological activity	22

Machine learning approaches and their applications in drug discovery and design	22
Discovery of two novel ALKBH5 selective inhibitors that exhibit uncompetitive or competitive type and suppress the growth activity of glioblastoma multiforme	22
Extraction and deproteinization process of polysaccharide from purple sweet potato	22
Recent progress in materials development and biological properties of GTR membranes for periodontal regeneration	21
Antibiotic–cell‐penetrating peptide conjugates targeting challenging drug‐resistant and intracellular pathogenic bacteria	21
Novel imidazo[2,1‐b]thiazole‐based anticancer agents as potential focal adhesion kinase inhibitors: Synthesis, in silico and in vitro evaluation	21
The flavonoid Astragalin shows anti‐tumor activity and inhibits PI3K/AKT signaling in gastric cancer	19
Alantolactone: A sesquiterpene lactone with diverse pharmacological effects	19
Isoniazid–phytochemical conjugation: A new approach for potent and less toxic anti‐TB drug development	19
Quinoline‐based thiazolidinone derivatives as potent cytotoxic and apoptosis‐inducing agents through EGFR inhibition	19
Design and synthesis of isothiocyanate‐containing hybrid androgen receptor (AR) antagonist to downregulate AR and induce ferroptosis in GSH–Deficient prostate cancer cells	18
A review on computer‐aided chemogenomics and drug repositioning for rationalCOVID‐19 drug discovery	18
Artificial intelligence and machine learning for protein toxicity prediction using proteomics data	18
Extraction, structural analysis, and activities of rice bran polysaccharide	17
Friedlӓnder's synthesis of quinolines as a pivotal step in the development of bioactive heterocyclic derivatives in the current era of medicinal chemistry	17
Design, synthesis, and biological evaluation of piperidinyl‐substituted [1,2,4]triazolo[1,5‐a]pyrimidine derivatives as potential anti‐HIV‐1 agents with reduced cytotoxicity	17
Anticancer properties and pharmaceutical applications of ginsenoside compound K: A review	17
Icaritin activates Nrf2/Keap1 signaling to protect neuronal cells from oxidative stress	16
Therapeutic potential of ferulic acid and its derivatives in Alzheimer’s disease—A systematic review	16
Ginkgetin alleviates high glucose‐evoked mesangial cell oxidative stress injury, inflammation, and extracellular matrix (ECM) deposition in an AMPK/mTOR‐mediated autophagy axis	16
Anticancer and antileishmanial in vitro activity of gold(I) complexes with 1,3,4‐oxadiazole‐2(3H)‐thione ligands derived from δ‐D‐gluconolactone	16
Recent progress of research on anti‐tumor agents using benzimidazole as the structure unit	16
In silico prediction of drug‐induced ototoxicity using machine learning and deep learning methods	16
Pinoresinol diglucoside alleviates ischemia/reperfusion‐induced brain injury by modulating neuroinflammation and oxidative stress	15
Potent antibacterial activity of dihydydropyrimidine‐1,3,5‐triazines via inhibition of DNA gyrase and antifungal activity with favourable metabolic profile	15
Alantolactone induces apoptosis in THP‐1 cells through STAT3, survivin inhibition, and intrinsic apoptosis pathway	15
Benzimidazole‐based protein kinase inhibitors: Current perspectives in targeted cancer therapy	15
Role of Pd(II)–chitooligosaccharides–Gboxin analog in oxidative phosphorylation inhibition and energy depletion: Targeting mitochondrial dynamics	14
The importance of co‐delivery of nanoparticle‐siRNA and anticancer agents in cancer therapy	14
Preparation and antioxidant activity of phosphorylated polysaccharide from purple sweet potato	14
Design strategies, SAR, and mechanistic insight of Aurora kinase inhibitors in cancer	14
Tetrazole: A privileged scaffold for the discovery of anticancer agents	14
Synergistic antifungal effects of curcumin derivatives as fungal biofilm inhibitors with fluconazole	14
Synthesis and in vitro antileishmanial efficacy of novel quinazolinone derivatives	14
A review of the effects and molecular mechanisms of dimethylcurcumin (ASC‐J9) on androgen receptor‐related diseases	13
Biological evaluation of Keggin‐type polyoxometalates on tyrosinase: Kinetics and molecular modeling	13
Alginate oligosaccharide alleviates senile osteoporosis via the RANKL–RANK pathway in D‐galactose‐induced C57BL/6J mice	13
Multiple interactions between melatonin and non‐coding RNAs in cancer biology	13
A comprehensive review on glucokinase activators: Promising agents for the treatment of Type 2 diabetes	13
GWOVina: A grey wolf optimization approach to rigid and flexible receptor docking	13
Radiosynthesis and in silico bioevaluation of 131I‐Sulfasalazine as a highly selective radiotracer for imaging of ulcerative colitis	13
Multiple function of lncRNA MALAT1 in cancer occurrence and progression	13
Spectrum of deep learning algorithms in drug discovery	13
Elucidating specificity of an allosteric inhibitor WNK476 among With‐No‐Lysine kinase isoforms using molecular dynamic simulations	13
Emerging quinoline‐ and quinolone‐based antibiotics in the light of epidemics	13
Predicting adverse drug reactions of two‐drug combinations using structural and transcriptomic drug representations to train an artificial neural network	12
Design, synthesis and biological evaluation of N‐substituted indole‐thiazolidinedione analogues as potential pancreatic lipase inhibitors	12
Discovery of novel antibacterial agents: Recent developments in D‐alanyl‐D‐alanine ligase inhibitors	12
Molecular mechanisms of anticancer activities of polyphyllin VII	12
A new insight into the treatment of diabetes by means of pan PPAR agonists	12

Extraction, structural characterization, and physicochemical properties of polysaccharide from purple sweet potato	12
An insight into therapeutic efficacy of heterocycles as histone‐modifying enzyme inhibitors that targets cancer epigenetic pathways	12
Epigallocatechin‐3‐O‐gallate ameliorates oxidative stress‐induced chondrocyte dysfunction and exerts chondroprotective effects via the Keap1/Nrf2/ARE signaling pathway	12
Structure‐based derivation and optimization of YAP‐like coactivator‐derived peptides to selectively target TEAD family transcription factors by hydrocarbon stapling and cyclization	11
A comprehensive review of recent advances in the biological activities of quinazolines	11
Current status of quinoxaline and quinoxaline 1,4‐di‐N‐oxides derivatives as potential antiparasitic agents	11
Designing of kinase hinge binders: A medicinal chemistry perspective	11
99mTc‐labeled antibiotics for infection diagnosis: Mechanism, action, and progress	11
Design, synthesis, and evaluation of novel heteroaryldihydropyrimidine derivatives as non‐nucleoside hepatitis B virus inhibitors by exploring the solvent‐exposed region	11
Insights into the structure and drug design of benzimidazole derivatives targeting the epidermal growth factor receptor (EGFR)	11
Emerging chemical scaffolds with potential SHP2 phosphatase inhibitory capabilities – A comprehensive review	11
Design, synthesis, and biological evaluation of novel imidazo[1,2‐a]pyridinecarboxamides as potent anti‐tuberculosis agents	11
A novel peptide isolated from garlic shows anticancer effect against leukemic cell lines via interaction with Bcl‐2 family proteins	11
Extraction, chemical modification, and antioxidant activities of Daucus carota polysaccharide	11
Evaluation of small molecule kinase inhibitors as novel antimicrobial and antibiofilm agents	11
Comprehensive review on natural pharmacophore tethered 1,2,3‐triazoles as active pharmaceuticals	11
Integrated molecular modeling techniques to reveal selective mechanisms of inhibitors to PI3Kδ with marketed Idelalisib	11
Development and radiosterilization of new hydrazono‐quinoline hybrids as DNA gyrase and topoisomerase IV inhibitors: Antimicrobial and hemolytic activities against uropathogenic	11
Methyl brevifolincarboxylate, a novel influenza virus PB2 inhibitor from Canarium Album (Lour.) Raeusch	11
Synthesis, extracorporeal nephrotoxicity, and 3D‐QSAR of andrographolide derivatives	11
Development of quinoline‐based hybrid as inhibitor of methionine aminopeptidase 1 from Leishmania donovani	10
Discovery of potent α‐glucosidase inhibitors through structure‐based virtual screening of an in‐house azole collection	10
Gambogenic acid suppresses bladder cancer cells growth and metastasis by regulating NF‐κB signaling	10
Frontiers in G‐Quadruplex therapeutics in cancer: Selection of small molecules, peptides and aptamers	10
DNA intercalators as anticancer agents	10
Secondary structure dependence of amyloid‐β(1–40) on simulation techniques and force field parameters	10
Histamine H3 receptor and cholinesterases as synergistic targets for cognitive decline: Strategies to the rational design of multitarget ligands	10
Averting transmission: A pivotal target to manage amoebiasis	10
Symbiotic prodrugs (SymProDs) dual targeting of NFkappaB and CDK	10
Explainability and white box in drug discovery	9
Facile synthesis and antimycobacterial activity of isoniazid, pyrazinamide and ciprofloxacin derivatives	9
Review on marine sponge alkaloid, aaptamine: A potential antibacterial and anticancer drug	9
Synthetic molecules targeting yes associated protein activity as chemotherapeutics against cancer	9
Rational design of novel N‐alkyl amine analogues of noscapine, their chemical synthesis and cellular activity as potent anticancer agents	9
Natural naphthoquinones and their derivatives as potential drug molecules against trypanosome parasites	9
Design of new truncated derivatives based on direct and reverse mirror repeats of first six residues of Caerin 4 antimicrobial peptide and evaluation of their activity and cytotoxicity	9
Some important inhibitors and mechanisms of rheumatoid arthritis	9
Synthesis and in vitro anticancer activities of selenium N‐heterocyclic carbene compounds	9
Classification of beta‐site amyloid precursor protein cleaving enzyme 1 inhibitors by using machine learning methods	9
Review on target domains and natural compound‐based inhibitors of fatty acid synthase for anticancer drug discovery	9
Multitask deep networks with grid featurization achieve improved scoring performance for protein–ligand binding	8
Structure‐based discovery of Licoflavone B and Ginkgetin targeting c‐Myc G‐quadruplex to suppress c‐Myc transcription and myeloma growth	8
Baicalin mitigated IL‐1β‐Induced osteoarthritis chondrocytes damage through activating mitophagy	8
Design and fabrication of dual‐targeted delivery system based on gemcitabine‐conjugated human serum albumin nanoparticles	8
Fragment‐based in silico design of SARS‐CoV‐2 main protease inhibitors	8
Application of porcupine inhibitors in stem cell fate determination	8
Design, synthesis and antifungal evaluation of novel mandelic acid derivatives containing a 1,3,4‐oxadiazothioether moiety	8
Overcoming vincristine resistance in cancer: Computational design and discovery of piperine‐inspired P‐glycoprotein inhibitors	8
Identification of potential drug–targets by combining evolutionary information extracted from frequency profiles and molecular topological structures	8
Antiaggregant effects of (1,2,5‐oxadiazolyl)azasydnone ring assemblies as novel antiplatelet agents	8
Characterisation of a novel peptide, Brevinin‐1H, from the skin secretion of Amolops hainanensis and rational design of several analogues	8
LncRNA SNHG15: A potential therapeutic target in the treatment of colorectal cancer	8
Perspectives on cutting‐edge nanoparticulate drug delivery technologies based on lipids and their applications	8
Development of potent inhibitors by fragment‐linking strategies	8
Gallotannins are non‐specific inhibitors of α‐amylase: Aggregates are the active species taking part in inhibition	8
Synthesis, biological evaluation, and molecular modeling studies of acetophenones‐tethered 1,2,4‐triazoles and their oximes as epidermal growth factor receptor inhibitors	7
Formulation, optimization and characterization of raloxifene hydrochloride loaded PLGA nanoparticles by using Taguchi design for breast cancer application	7
Pyrrolidin‐2‐one linked benzofused heterocycles as novel small molecule monoacylglycerol lipase inhibitors and antinociceptive agents	7
Green synthesis and characterization of Solanum xanthocarpum capped silver nanoparticles and its antimicrobial effect on multidrug‐resistant bacterial (MDR) isolates	7
Synthetic heterocyclic derivatives as promising xanthine oxidase inhibitors: An overview	7
1H‐1,2,3‐triazole embedded Isatin‐Benzaldehyde‐bis(heteronuclearhydrazones): design, synthesis, antimycobacterial, and cytotoxic evaluation	7
Applications of machine‐learning methods for the discovery of NDM‐1 inhibitors	7
Downregulation of NRARP exerts anti‐tumor activities in the breast tumor cells depending on Wnt/β‐catenin‐mediated signals: The role of miR‐130a‐3p	7
Identification of selective mtbDHFR inhibitors by virtual screening and experimental approaches	7
Dithiocarbamate derivatives inhibit α‐glucosidase through an apparent allosteric site on the enzyme	7
Tachyplesin induces apoptosis in non‐small cell lung cancer cells and enhances the chemosensitivity of A549/DDP cells to cisplatin by activating Fas and necroptosis pathway	7
ELIOT: A platform to navigate the E3 pocketome and aid the design of new PROTACs	7
A natural language processing approach based on embedding deep learning from heterogeneous compounds for quantitative structure–activity relationship modeling	7
Structure‐based non‐nucleoside inhibitor design: Developing inhibitors that are effective against resistant mutants	7
Synthesis and biological activity profile of novel triazole/quinoline hybrids	7
Eukaryotic phosphatase inhibitors enhance colistin efficacy in gram‐negative bacteria	7
The role of FoxO1 and its modulation with small molecules in the development of diabetes mellitus: A review	7
Hydroxysafflor yellow A protects against ulcerative colitis via suppressing TLR4/NF‐κB signaling pathway	7
Molecular docking‐guided synthesis of NSAID–glucosamine bioconjugates and their evaluation as COX‐1/COX‐2 inhibitors with potentially reduced gastric toxicity	7
Pyronaridine induces apoptosis in non‐small cell lung cancer cells by upregulating death receptor 5 expression and inhibiting epidermal growth factor receptor	7
Chemical composition analysis and antioxidant activity of black rice pigment	7
Synthesis and antiviral activity of diverse heterocyclic scaffolds	7
Glucosyl‐1,2,3‐triazoles derived from eugenol and analogues: Synthesis, anti‐Candida activity, and molecular modeling studies in CYP‐51	7
Molecular dynamics simulations provide molecular insights into the role of HLA‐B51 in Behçet's disease pathogenesis	7
Therapeutic efficacy of caffeic acid phenethyl ester in cancer therapy: An updated review	7

Novel quantitative structure–activity relationship model to predict activities of natural products against COVID‐19	7
Identification of catalytic and non‐catalytic activity inhibitors against PRC2‐EZH2 complex through multiple high‐throughput screening campaigns	6
Isoquinolines alkaloids and cancer metabolism: Pathways and targets to novel chemotherapy	6
Synthesis and activity of novel indirubin derivatives	6
Design, synthesis, and molecular modeling of quinoline‐based derivatives as anti‐breast cancer agents targeting EGFR/AKT signaling pathway	6
Use of neomycin as a structured amino‐containing side chain motif for phenanthroline‐based G‐quadruplex ligands and telomerase inhibitors	6
Synergistic interaction of N‐3‐Br‐benzyl‐noscapine and docetaxel abrogates oncogenic potential of breast cancer cells	6
Pharmacophore screening, denovo designing, retrosynthetic analysis, and combinatorial synthesis of a novel lead VTRA1.1 against RecA protein of Acinetobacter baumannii	6
Modulation of co‐stimulatory signal from CD2–CD58 proteins by a grafted peptide	6
Role of exosomal miRNA in chemotherapy resistance of Colorectal cancer: A systematic review	6
Rational drug discovery: Ellagic acid as a potent dual‐target inhibitor against hepatitis C virus genotype 3 (HCV G3) NS3 enzymes	6
TMLRpred: A machine learning classification model to distinguish reversible EGFR double mutant inhibitors	6
Synthesis of 2‐Chloro‐3‐amino indenone derivatives and their evaluation as inhibitors of DNA dealkylation repair	6
An appraisal on synthetic and pharmaceutical perspectives of quinoxaline 1,4‐di‐N‐oxide scaffold	6
4‐Sulfonyloxy/alkoxy benzoxazolone derivatives with high anti‐inflammatory activities: Synthesis, biological evaluation, and mechanims of action via p38/ERK‐NF‐κB/iNOS pathway	6
Theoretical study of myriocin‐binding mechanism targeting serine palmitoyltransferase	6
Cytotoxic effects of vitamins K1, K2, and K3 against human T lymphoblastoid leukemia cells through apoptosis induction and cell cycle arrest	6
Benchmarking analysis of deleterious SNP prediction tools on CYP2D6 enzyme	6
The rise of deep learning and transformations in bioactivity prediction power of molecular modeling tools	6
Recent advances in antifungal drug development targeting lanosterol 14α‐demethylase (CYP51): A comprehensive review with structural and molecular insights	6
Silicon switch: Carbon–silicon Bioisosteric replacement as a strategy to modulate the selectivity, physicochemical, and drug‐like properties in anticancer pharmacophores	6
A systematic literature review for the prediction of anticancer drug response using various machine‐learning and deep‐learning techniques	6
Synthesis of new coumarin[1,3]oxazine derivatives of 7‐hydroxy‐6‐isobornyl‐4‐methylcoumarin and their antioxidant activity	6
Synthesis and discovery of potential tyrosinase inhibitor of new coumarin‐based thiophenyl‐pyrazolylthiazole nuclei: In vitro evaluation, cytotoxicity, kinetic, and computational studies	6
OTU deubiquitinase 5 inhibits the progression of non‐small cell lung cancer via regulating p53 and PDCD5	6
Design, synthesis and biological evaluation of benz‐fused five‐membered heterocyclic compounds as tubulin polymerization inhibitors with anticancer activities	6
Gossypin: A flavonoid with diverse pharmacological effects	6
Antihypertensive activity and molecular interactions of irbesartan in complex with 2‐hydroxypropyl‐β‐cyclodextrin	6
Antifungal activity of styrylpyridinium compounds against Candida albicans	6
Antitumour properties based on the self‐assembly of camptothecin and carbamoylmannose conjugates	6
[99mTc‐HYNIC/EDDA]‐MccJ25 antimicrobial peptide analog as a potential radiotracer for detection of infection	6
Sesamin exerts anti‐tumor activity in esophageal squamous cell carcinoma via inhibition of TRIM44 and NF‐κB signaling	6
Pyrazolopyridine: An efficient pharmacophore in recent drug design and development	6
Current understanding and future prospects on Berberine for anticancer therapy	6
Identification of novel P2X7R antagonists by using structure‐based virtual screening and cell‐based assays	6
Cyanidin as potential anticancer agent targeting various proliferative pathways	6
Synthesis and activities of acetylcholinesterase inhibitors	6
Sulfonated non‐saccharide molecules and human factor XIa: Enzyme inhibition and computational studies	6
Peptidomimetic‐based approach toward inhibitors of microbial trimethylamine lyases	5
Design, synthesis, and biological evaluation of benzo[b]thiophene 1,1‐dioxide derivatives as potent STAT3 inhibitors	5
Design and synthesis of a novel peptide for selective detection of cancer cells	5
Identification of three new compounds that directly target human serine hydroxymethyltransferase 2	5
Delineating binding potential, stability of Sulforaphane‐N‐acetyl‐cysteine in the active site of histone deacetylase 2 and testing its cytotoxicity against distinct cancer lines through stringent mol	5
1,3,4‐oxadiazole derivatives as potential antimicrobial agents	5
Synthesis and inhibitory activities of inhibitors for the treatment of Alzheimer’s disease	5
Design, synthesis and anti‐inflammatory study of novel N‐heterocyclic substituted Aloe‐emodin derivatives	5
Selection of antimicrobial frog peptides and temporin‐1DRa analogues for treatment of bacterial infections based on their cytotoxicity and differential activity against pathogens	5
Synthesis, biological evaluation, molecular modeling, and structural analysis of new pyrazole and pyrazolone derivatives as N‐formyl peptide receptors agonists	5
Isoginkgetin inhibits inflammatory response in the fibroblast‐like synoviocytes of rheumatoid arthritis by suppressing matrix metallopeptidase 9 expression	5
Recent updates in the development of small molecules as potential clinical candidates for Alzheimer's disease: A review	5
The effect of multiple simulation parameters on MM/PBSA performance for binding affinity prediction of CB1 cannabinoid receptor agonists and antagonists	5
Synthesis, and antimalarial and antibacterial activities of marine alkaloids	5
Synthesis, biological activities, and docking study of novel chalcone‐pleuromutilin derivatives	5
Association of sigma‐1 receptor with dopamine transporter attenuates the binding of methamphetamine via distinct helix–helix interactions	5
99mTc‐(EDDA/tricine)‐HYNIC‐GnRH analogue as a potential imaging probe for diagnosis of prostate cancer	5
Fingerprint‐based computational models of 5‐lipo‐oxygenase activating protein inhibitors: Activity prediction and structure clustering	5
3‐O‐trans‐caffeoyloleanolic acid improves acute lung injury via anti‐inflammation and antioxidative stress‐involved PI3K/AKT pathway	5
Synthetic peptides bioinspired in temporin‐PTa with antibacterial and antibiofilm activity	5
ACPS: An accurate bioinformatics tool for precision‐based anti‐cancer peptide generation via omics data	5
SARS‐CoV‐2 first contact: Spike–ACE2 interactions in COVID‐19	5
Ternary complex formation of AFN‐1252 with Acinetobacter baumannii FabI and NADH: Crystallographic and biochemical studies	5
Pyrimidine derivatives as EGFR tyrosine kinase inhibitors in non‐small‐cell lung cancer: A comprehensive review	5
Interleukin‐25 recognition by its unique receptor IL‐17Rb via two discrete linear and cyclic epitopes	5
Design and development of novel fasudil derivatives as potent antibreast cancer agent that improves intestinal flora and intestinal barrier function in rats	5
W2476 represses TXNIP transcription via dephosphorylation of FOXO1 at Ser319	5
Synthesis, in silico docking studies, and antiplasmodial activity of hybrid molecules bearing 7‐substituted 4‐aminoquinoline moiety and cinnamic acid derivatives	5
Design, synthesis, and modelling study of new 1,2,3‐triazole/chalcone hybrids with antiproliferative action as epidermal growth factor receptor inhibitors	5
Synergy between machine learning and natural products cheminformatics: Application to the lead discovery of anthraquinone derivatives	5
Synthesis, in vitro and in silico anti‐bacterial analysis of piperine and piperic ester analogues	5
Synthesis, structural investigations, and in vitro biological activity of Co(II) and Fe(III) mixed ligand complexes of 1,10‐phenanthroline and 2,2′‐bipyridine	5
Study the mechanism of peimisine derivatives on NF‐κB inflammation pathway on mice with acute lung injury induced by lipopolysaccharide	5
MiR‐27a‐3p targets USP46 to inhibit the cell proliferation of hepatocellular carcinoma	5
‘Targeting the feast of a sleeping beast’: Nutrient and mineral dependencies of encysted Acanthamoeba castellanii	5
High therapeutic efficacy of 5‐Fluorouracil‐loaded exosomes against colon cancer cells	5
Intrinsic drug potential of oxazolo[5,4‐d]pyrimidines and oxazolo[4,5‐d]pyrimidines	5
Chemotherapeutic potentials of β‐ionone against Trypanosoma congolense infection: Inhibition of parasite proliferation, anemia development, trans‐sialidase (TconTS3 and TconTS4) g	5
The salivary exosomal microRNA as a potential biomarker in patients with periodontitis and oral cancers	5
Evaluation of the performance of various machine learning methods on the discrimination of the active compounds	4
Preparation and separation of epothilones with anticancer activity	4
Ligustilide induces apoptosis and reduces proliferation in human bladder cancer cells by NFκB1 and mitochondria pathway	4
Discovery of novel inhibitors of CDK2 using docking and physics‐based binding free energy calculation	4
Amalgamating Isatin/Indole/Nitroimidazole with 7‐chloroquinolines via azide‐alkyne cycloaddition: Synthesis, anti‐plasmodial, and cytotoxic evaluation	4
Linear triazole‐linked pseudo oligogalactosides as scaffolds for galectin inhibitor development	4
Arylnitro monocarbonyl curcumin analogues: Synthesis and in vitro antitubercular evaluation	4
N‐pyridinylbenzamides: an isosteric approach towards new antimycobacterial compounds	4
Design, synthesis, and biological evaluation of urea‐based ROCK2 inhibitors	4
Design, synthesis, and molecular modeling of coumarin derivatives as MDM2 inhibitors targeting breast cancer	4
Identification of potential modulators of osteosarcoma metastasis by high‐throughput cellular screening of natural products	4
Antiproliferative labdane diterpenes from the rhizomes of Hedychium flavescens Carey ex Roscoe	4
Ursolic and betulinic semisynthetic derivatives show activity against CQ‐resistant Plasmodium falciparum isolated from Amazonia	4
Novel candidates in the clinical development pipeline for TB drug development and their synthetic approaches	4
Discovery of drug‐like acetylcholinesterase inhibitors by rapid virtual screening of a 6.9 million compound database	4
Natural anthraquinone compound emodin as a novel inhibitor of aurora A kinase: A pilot study	4
Role of calcium dysregulation in Alzheimer's disease and its therapeutic implications	4
Design, synthesis, and anticancer evaluation of N6‐hydrazone purine derivatives with potential antiplatelet aggregation activity	4