Future Medicinal Chemistry

Article	Citations
The role of descriptors extracted from ligand-target interaction to improve conventional QSAR model performance in the realm of angiogenesis receptor modulation to fight cancer	68
The Connection Between PARP14 and SARS-CoV-2	66
Development of 5-hydroxybenzothiophene derivatives as multi-kinase inhibitors with potential anti-cancer activity	62
Novel Set of Highly Substituted Bis-Pyridines: Synthesis, Molecular Docking and Drug-Resistant Antibacterial Profile	50
α-Glucosidase-targeting 1,2,4-triazole antidiabetic candidates: comparative analysis and future perspectives	42
In vivo evaluation of novel synthetic pyrazolones as CDK9 inhibitors with enhanced pharmacokinetic properties	42
Design and synthesis of new nicotinamides as immunomodulatory VEGFR-2 inhibitors and apoptosis inducers	32
Hybridization of isatin and benzoxazolinone via a diethyl spacer: a new scaffold for breast cancer drug discovery	29
Biological and computational evaluation of novel benzofuranyl derivatives as acetylcholinesterase and butyrylcholinesterase inhibitors	29
Therapeutic potential of spirocyclopropyl oxindoles: latest developments in drug discovery	28
Synthesis of thiosemicarbazone derivatives of thiophene-2-carboxylic acid as potent urease inhibitors: in vitro evaluation, molecular docking, and densit	27
Small molecule dual inhibitors of HDAC6/HSP90 as potential anticancer therapeutics: an overview of design rationality and structure activity relationships	27
Investigations of New N 1 -Substituted Pyrazoles as Anti-Inflammatory and Analgesic Agents having COX Inhibitory Act	25
Small-molecule Cathepsin K inhibitors: a medicinal chemistry perspective	25
Butenolide-based human carbonic anhydrase (hCA) I/II inhibitors: integrated computational and biological evaluation	25
Synergistic effect of new pyrimidine derivative with oxacilin against methicillin-resistant Staphylococcus aureus	25
Basic nitrogen (BaN): a ‘privileged element’ in medicinal chemistry	25
Advances in AR-Targeting Chimeras: A Case Study of proteolysis-targeting Chimeras From Bench to Bedside	24
New pyrrolopyridine-based Thiazolotriazoles As Diabetics Inhibitors: Enzymatic Kinetics and In Silico Study	24
Wogonin-derived chemotype enables discovery of novel GLS1 inhibitors with potent antitumor activity	23
Design, synthesis and inhibition evaluation of novel chalcone amide α-glucosidase inhibitors	22
Key heterocyclic moieties for the next five years of drug discovery and development	22
Computational Insights Into Novel Inhibitor Indole-Heterocycle Specific Against Glycogen Phosphorylase Isoenzymes Interaction Mechanism	21
Synthesis, in vitro and in silico anticancer evaluation of novel pyridin-2-yl estra-1,3,5(10)-triene derivatives	20
Rh(III) and Ru(II) Complexes With Phosphanyl–Alkylamines: Inhibition of DNA Synthesis Induced By Anticancer Rh Complex	20

Discovery of Novel Covalent Inhibitors of DJ-1 Through Hybrid Virtual Screening	20
Novel Xylenyl-Spaced Bis-Thiazoles/Thiazines: Synthesis, Biological Profile as Herpes Simplex Virus Type 1 Inhibitors and in Silico Simulations	20
Identification of KRAS mutants (G12C, G12D, and G12V) inhibitors	20
Barbiturate–sulfonate hybrids as potent cholinesterase inhibitors: design, synthesis and molecular modeling studies	20
Synthesis of Hydrazinyl–Thiazole Ester Derivatives, in Vitro Trypanocidal and Leishmanicidal Activities	20
Synthesis, antimicrobial evaluation, HPLC-based compound accumulation and docking studies of 2-methoxybenzoyl thioureas	19
Recent advances in the design and development of small-molecule MMP-2 inhibitors	18
Recent advances in 1,3,5-triazine-based PI3K inhibitors for cancer therapy: a comprehensive review	18
Propargylamine: an Important Moiety in Drug Discovery	18
HDAC8 As an Emerging Target in Drug Discovery With Special Emphasis on Medicinal Chemistry	18
Management of Adenocarcinoma With Honokiol: Progress So Far and the Way Forward	17
Recent advances in the development of small molecule STK33 inhibitors	17
Recent Advancements in the Discovery of Cereblon-Based Protease-Targeted Chimeras With Potential for Therapeutic Intervention	16
New thiosemicarbazones: synthesis, structural characterization, in vitro, and in silico evaluation of antiproliferative effects	16
Copper(II) complexes of 2-hydroxy-1-naphthaldehyde Schiff bases: synthesis, in vitro activity and computational studies	15
Keto-Bridged Dual Triazole-Linked Benzenesulfonamides As Potent Carbonic Anhydrase and Cathepsin B Inhibitors	15
Unlocking the power of imidazoquinolines: recent advances in anticancer and immunotherapeutic strategies	15
Synthesis of indole-functionalized isoniazid conjugates with potent antimycobacterial and antioxidant efficacy	14
Potent α-glucosidase inhibitors with benzimidazole-propionitrile hybridization; synthesis, bioassay and docking study	14
Advances in the synthesis of dehydroacetic acid based pyrazole-pyridine conjugates with promising anti-malarial and anti-inflammatory potentials	14
γ-Secretase As a Drug Target for Familial Alzheimer's Disease: The Road Less Traveled	14
Palbociclib-derived multifunctional molecules for lysosomal targeting and diagnostic-therapeutic integration	14
Medicinal Chemistry in Big Pharma has a Gender Diversity Problem	14
Dual inhibition of BRAF for cancer treatment: advances and therapeutic potential	13
Mechanosynthesis and computational studies of new imidazole-based selenium adducts as potential anticancer agents against human prostate and cervical cancer	13
Autophagy degradation: a promising dimension in drug discovery for neurodegenerative diseases	13
Design synthesis and evaluation of arylamino propoxyphenyl indoles for potential atypical antipsychotic activity	13
Piperazine-1,2,3-triazole Scaffolds: design, synthesis, Anticancer and Antimicrobial Evaluation	12
Latest developments in small molecule analgesics: heterocyclic scaffolds II	12
Novel bis-benzimidazole-triazole hybrids: anticancer study, in silico approaches, and mechanistic investigation	12
Latest developments in photosensitizers: improving stability, specificity and responsiveness	12
Refinement of MEK inhibitors	12
Synthesis of Novel Furan-Based Chalcone Derivatives As Anti-Tuberculosis Agents: In Vitro , Cytotoxicity Assessment and In Silico	12
The versatility of phenothiazines as an anticancer drug scaffold	12
Targets for bacterial resistance: recent advances in small-molecule FtsZ inhibitors	12
Levamisole Derivatives As Immune Modulators for the Treatment of Amyotrophic Lateral Sclerosis (ALS)	12
Unveiling the potential of zingerone-1,2,3-triazole derivatives as dual anticancer and COX-2 inhibitor: design, synthesis, and biological assessments	12
How does machine learning augment alchemical binding free energy calculations?	12
Azetidines in medicinal chemistry: emerging applications and approved drugs	12
Design, Synthesis and Antitumor Activity of Novel pyran-functionalized Uracil Derivatives: Docking Studies	12
Novel Effective Small-Molecule Inhibitors of Protein Kinases Related to Tau Pathology in Alzheimer's Disease	12
A comprehensive review on azole-based hydroxamic acid analogs as histone deacetylases (HDACs) inhibitors	11
Targeted small molecule therapy and inhibitors for lymphoma	11
Design, Synthesis and Bio-Evaluation of Indolin-2-Ones As Potential Antidiabetic Agents	11
Selenium: The Emerging Element in the Medicinal Chemist’s Toolkit	11
New Theobromine Derivatives Inhibiting VEGFR-2: Design, Synthesis, Antiproliferative, Docking and Molecular Dynamics Simulations	11
“Spiro-pyrrolizidine-benzyloxy hybrid as synergistic partner to doxorubicin cardio-safe breast cancer chemotherapy”	11
Half-life prediction of central nervous system (CNS) small molecules in humans using gradient tree boosting	11
In vitro anti-breast cancer study of hybrid cinnamic acid derivatives bearing 2-thiohydantoin moiety	11
Synthesis, anti-biofilm and molecular docking of amino-substituted chalcones targeting Staphylococcus aureus sortase A	11

Recent advances in the investigation of the quinazoline nucleus and derivatives with potential anticancer activities	10
Design and evaluation of multi-target AGEs/ALEs inhibitors for potential application in skin anti-aging	10
One-pot synthesis and pharmacological evaluation of new quinoline/pyrimido-diazepines as pulmonary antifibrotic agents	10
Design, synthesis, and antidiabetic activity of new furan-clubbed 1,2,3-triazole derivatives as α -glucosidase inhibitors	10
Anti-alkaline phosphatases (ALP) potentials of potent 4-aminobenzenesulfonamide derivatives against Naja oxiana venom	10
Overcoming translational barriers in RNA–protein docking: enhancing computational accuracy for targeted drug discovery	10
Novel Benzochromenes: Design, Synthesis, Cytotoxicity, Molecular Docking and Mechanistic Investigations	10
New Indole Derivatives As Multitarget anti-Alzheimer's Agents: synthesis, Biological Evaluation and Molecular Dynamics	10
Novel 2-Indolinone Derivatives as Promising Agents against Respiratory Syncytial and Yellow Fever Viruses	10
NeuroClick: Software for Mimicking Click Reaction to Generate Drug-Like Molecules Permeating the Blood–Brain Barrier	10
Medicinal chemistry approaches for dual inhibition of amyloid-β and tau aggregation in Alzheimer’s disease	10
Recent advances in the development of EGFR/Src, Src/Abl, EGFR/VEGFR2, EGFR/c-Met, STAT-3/c-Src, VGERF/FAK and EGFR/HER dual-targeted kinase inhibitors	10
Design, Synthesis and Biological Evaluation of Novel Selective PI3Kδ Inhibitors Containing Pyridopyrimidine Scaffold	10
The impact of phenotypic- versus target-based approaches in antimalarial drug discovery in the last two decades (2005–2025)	10
The current landscape of indole hybrids with in vivo antitumor potential	10
19 Schiff Bases as Antimycobacterial Agents: Synthesis, Molecular Docking and a Plausible Mechanism of Action	10
Mucin Glycosylation: A Potential Target for Prostate Cancer Management	10
BioPrint Meets the AI Age: Development of Artificial Intelligence-Based ADMET Models for the Drug-Discovery Platform SAFIRE	9
Kynomycin: A Beacon of Hope in the Battle Against Antibiotic Resistance	9
Development of indole hybrids for potential lung cancer treatment-part I: nitrogen-containing six-membered aromatic heterocycles	9
In-vitro and in-silico assessment of thiazole-thiazolidinone derivatives as selective inhibitors of urease and α-glucosidase	9
Novel pyrimidine-triazole conjugates for targeted inhibition of EGFR: synthesis and biological evaluation	9
Advancement of Targeted Protein Degradation Strategies As Therapeutics for Undruggable Disease Targets	9
Design, synthesis and mechanistic exploration of anti-plasmodial Indolo[2,3- b ]quinoxaline-7-chloroquinoline hybrids	9
Thiazolidinedione–Triazole Conjugates: Design, Synthesis and Probing of the α-Amylase Inhibitory Potential	9
Synthesis, characterization & molecular docking studies of rationally designed azobenzene-Derived 5-oxoimidazoline derivatives as potent antimicrobial agents	9
Recent Advances in dehydroacetic acid-clubbed pyridine conjugates: design, synthesis, characterization, molecular docking investigations and evaluation of anti-cancer efficacy	9
Synthesis of Hydrazinylthiazole Carboxylates: A Mechanistic Approach for Treatment of Diabetes and Its Complications	9
Metric analysis of molecular graphs of selected anticancer drugs	9
Exploring thiazole conjugates as cholinesterase inhibitors for Alzheimer’s disease treatment	9
From clove oil to bioactive agents: synthetic routes, antimicrobial and antiparasitic activities of eugenol derivatives	9
Autophagosome degraders: a novel therapeutic strategy with broad application potential in human diseases	9
New thiazolidin-4-ones as anti-cervical cancer agents targeting EGFR: design, synthesis, and computational studies	9
Dorzolamide Suppresses PKCδ -TIRAP-p38 MAPK Signaling Axis to Dampen the Inflammatory Response	9
Organoselenium compounds beyond antioxidants	9
Transition metal complexes: next-generation photosensitizers for combating Gram-positive bacteria	9
Novel Pyrimidine-1,3,4-Oxadiazole Hybrids and Their Precursors As Potential Antimycobacterial Agents	9
Novel Diamides Inspired By Protein Kinase Inhibitors As Anti- Trypanosoma Cruzi Agents: In Vitro and In Vivo	9
The anticancer therapeutic potential of pyrimidine–sulfonamide hybrids	8
Network Analysis and Ligand-Based Pharmacophore Modeling for Discovery of Small Molecule Against Glioblastoma Multiforme	8
The emerging field of senotherapeutic drugs	8
Design and synthesis of novel N -phenyl-4-pyrimidine-diamine BCL6 inhibitors with anti -tumor activities	8
Novel 4-Aminoquinoline Analogs Targeting the HIF-1α Signaling Pathway	8
Research Progress on Tamoxifen and Its Analogs Associated With Nuclear Receptors	8
The antibreast cancer therapeutic potential of quinazoline hybrids–Part I	8
Benzo[ d ]thiazole-2-Carboxamides As New Antituberculosis Chemotypes Inhibiting Mycobacterial ATP Phosphoribosyl Transferase	8
Pyrroloquinoline quinone scaffolds: centrality in anticancer drug design	8
Synthesis, characterization and biological evaluation of aurones as potential neuroprotective agents	8
Welcome to the 16th Volume of Future Medicinal Chemistry	8
Evidence-based drug discovery	8
Benzimidazole-acrylonitrile hybrid derivatives act as potent urease inhibitors with possible fungicidal activity	8
Dual VEGFR-2 and EGFR T790M inhibitors of phenyldiazenes: anticancer evaluations, ADMET, docking, design and synthesis	8
Pyrazine-based small molecule kinase inhibitors: clinical applications and patent review (2019–2023)	8
Ultrasonic-assisted synthesis and antitumor evaluation of novel variant heterocyclic compounds based on piperidine ring	8
Optimizing selective estrogen receptor degraders for anticancer drug development	8
Virtual and Augmented Reality Applications in Medicinal Chemistry	8
Design and Synthesis of Selective FLT3 Inhibitors Via Exploration of Back Pocket II	8
Synthesis and antiproliferative evaluation of novel 3,5,8-trisubstituted coumarins against breast cancer	8
The antineoplastic and therapeutic effects of quinoline compounds against ehrlich ascites carcinoma in mice	8
Antimicrobial, Anticancer and Immunomodulatory Potential of New Quinazolines Bearing Benzenesulfonamide Moiety	8
Novel coumarin linked pyrazoles, thiazoles, and thiadiazoles: synthetic strategies and in vitro antimicrobial investigation	8
Synthesis and Anti-Ovarian Cancer Effects of Benzimidazole-2-Substituted Pyridine and Phenyl Propenone Derivatives	8
Recent advances in the design and development of small molecules against Lpx enzymes for mitigating Pseudomonas aeruginosa infections	7
Our New Year's (re)solution: Welcome to the 15th Volume of Future Medicinal Chemistry	7
Synthesis, biological evaluation and molecular docking of novel 2-pyrazoline-1-carboxamides as anti-Alzheimer agents	7
Synthesis and biological profiling of novel quinoline–thiadiazole–thiazolone scaffolds as antimicrobial agents	7
Key developments in fluorinated heterocycles	7
Design and synthesis of newer 5-aryl- N -(naphthalen-2-yl)-1,3,4-oxadiazol-2-amine analogues as anticancer agents	7
Structural insights of mycobacterial ATP synthase and recent updates on molecular recognition of Mtb ATP s	7
Gold: Not Just jewelry…	7
Urea-sugar and thiourea-sugar diastereomers: synthesis, crystal structure and biological activities	7
Research landscape of hydroxamic acid hybrids with therapeutic potential against prostate cancer: a decade of advances	7
Coumarin hybrids: dual-target candidates for future antimicrobial and antitubercular therapies	7
Combining Virtual Screening and In Vitro Evaluation for the Discovery of Potential CYP11B2 Inhibitors	7
Tetrahydroquinoline: An Efficient Scaffold As mTOR Inhibitor for the Treatment of Lung Cancer	7
Recent developments in matrine as a versatile molecular scaffold in small molecule drug discovery	7
Designing molecular hybrids as novel breast cancer therapeutics	7
Expanding potential of quinoline hydrazide/hydrazone derivatives as anticancer agents	7
Therapeutic potential of chalcone-1,2,3-triazole hybrids as anti-tumour agents: a systematic review and SAR studies	7
Design, semi-synthesis and bioevaluation of koumine-like derivatives as potential antitumor agents in vitro and in vivo	7

Exploring the interplay between structure-activity relationship and anticancer potential of pyridine derivatives	7
Therapeutic targeting of neuroinflammation in methamphetamine use disorder	7
Challenging Breast Cancer Through Novel sulfonamide–pyridine Hybrids: design, synthesis, Carbonic Anhydrase IX Inhibition and Induction of Apoptosis	7
Human Sirtuin 2 inhibitors, Their Mechanisms and Binding Modes	7
Hybrid chalcone-pyrazoline derivatives: synthesis and in silico evaluation for anticancer potential	7
Design, Synthesis and Anticancer Evaluation of Some Novel 7-Hydroxy-4-Methyl-3-Substituted Benzopyran-2-One Derivatives	7
Synthesis, anticancer activity and computational studies of new benzimidazole-triazole-pyridine glycoside conjugates	7
Unveiling the potential of HS-1793: a review of its anticancer properties and therapeutic promise	7
Conjugated Carbon Monoxide-Releasing Molecules have Broad-Spectrum Antimicrobial Activity	6
Design, synthesis and antitumor activity evaluation of 1,4-naphthoquinone-benzene sulfonamide hybrids	6
Antimicrobial Potential of Quaternary Phosphonium Salt Compounds: a Review	6
Advances in hydroxamic acid hybrids for liver cancer therapy: a decade of progress (2016–2025)	6
Discovery of isatin-thiazole conjugates as potent urease inhibitors; synthesis, biochemical screening and computational studies	6
Prioritizing oral bioavailability in drug development strategies	6
Cu(II) complexes based on benzimidazole ligands: synthesis, characterization, DFT, molecular docking & bioactivity study	6
Exploring ACSL4/LPCAT3/ALOX15 and SLC7A11/GPX4/NFE2L2 as Potential Targets in Ferroptosis-Based Cancer Therapy	6
Exploring the therapeutic potential and chemical properties of trans-chalcone: a comprehensive review	6
Design and evaluation of Ugi-derived peptoids as antibacterial and anticancer agents: experimental and computational insights	6
Norfloxacin Derivatives as DNA Gyrase and Urease Inhibitors: Synthesis, Biological Evaluation and Molecular Docking	6
Isatin as a privileged scaffold for kinase inhibition: recent advances in anti-cancer research	6
Exploring the antimicrobial and cytotoxic potential of novel chloroquine analogues	6
Synthesis of Novel Benzothiophene Derivatives As Protectors Against Cranial Irradiation-Induced Neuroinflammation	6
Recent development of azole–sulfonamide hybrids with the anticancer potential	6
Semicarbazone, thiosemicarbazone tailed isoxazoline-pyrazole: synthesis, DFT, biological and computational assessment	6
Pseudo-natural products as next-generation scaffolds: redefining the future of medicinal chemistry	6
Development of indole hybrids for potential lung cancer treatment - part II	6
Thiourea-functionalized aminoglutethimide derivatives as anti-leishmanial agents	6
Regulation of post-translational modification of PD-L1 and associated opportunities for novel small-molecule therapeutics	6
Protein-protein interactions in cGAS-STING pathway: a medicinal chemistry perspective	6
Targeting the cGAS-STING-TBK1 pathway in cancer therapy	6
Pharmacokinetic Correlation of Structurally Modified Chalcone Derivatives As Promising Leads to Treat Tuberculosis	6
Exploring digestive enzymes’ differential affectivity of synthesized 2-thienyl-based chalcones	6
Recent advances in targeted degradation in the RAS pathway	6
Preclinical characterization of a water-soluble low-impact ampakine prodrug, CX1942 and its active moiety, CX1763	6
New and potential boron-containing compounds for treatment of Alzheimer's disease and cancers	6
Evaluation of novel nitrophenol-triazole hybrid molecules: biological screening and computational profiling	6
Innovative virtual screening of PD-L1 inhibitors: the synergy of molecular similarity, neural networks and GNINA docking	6
Novel Sulfonamide Derivatives as a Tool to Combat Methicillin-Resistant Staphylococcus Aureus	6
Synthesis and in vivo studies of metformin analogues for management of impaired metabolic syndrome in pancreatic ductal adenocarcinoma	6
Molecular basis of ebselen biological activity	6
A novel class of potent antiangiogenic and antioxidant pyrazoles: synthesis, bioactivity, docking and ADMET studies	6
Design, synthesis and biological evaluation of sulfamethazine derivatives as potent neuraminidase inhibitors	6
Synthesis, cytotoxicity and 99m Tc-MIBI tumor cell uptake evaluation of 2-phenylbenzothiazole tagged triazole derivatives	6
Design, synthesis, and molecular docking studies of thiazole derivatives against phospholipase A 2 ( Naja oxiana ) venom	6
Synthesis of 2,4-dihydroxyacetophenone derivatives as potent PDE-1 and -3 inhibitors: in vitro and in silico insights	6
Environment benign synthesis of 5-acyl-4-hydroxypyridin-2(1 H )-one derivatives as antioxidant and α -amylase inhibitors	6