Future Medicinal Chemistry

Article	Citations
Combining EGFR Inhibitors With SHP2 Or LSD1 Inhibitors to Overcome Multidrug Resistance in Cancer	65
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	57
Therapeutic N -Heterocyclic Carbenes: An Interview With Alejandro Bugarin	52
Development of 5-hydroxybenzothiophene derivatives as multi-kinase inhibitors with potential anti-cancer activity	44
Identification of Sulfonamide-Based Butyrylcholinesterase Inhibitors Using Machine Learning	43
Design and synthesis of new nicotinamides as immunomodulatory VEGFR-2 inhibitors and apoptosis inducers	42
Citrate Transporter Inhibitors: Possible New Anticancer Agents	38
The Connection Between PARP14 and SARS-CoV-2	31
Super-Conserved Receptors Expressed in the Brain: Biology and Medicinal Chemistry Efforts	30
Targeting Tuberculosis – An Interview With Robert Abramovitch	30
Investigations of New N 1 -Substituted Pyrazoles as Anti-Inflammatory and Analgesic Agents having COX Inhibitory Act	28
Design of SARS-CoV-2 Mpro, PLpro Dual-Target Inhibitors Based on Deep Reinforcement Learning and Virtual Screening	28
α-Glucosidase-targeting 1,2,4-triazole antidiabetic candidates: comparative analysis and future perspectives	25
Combining Structure-Based and 3D QSAR Pharmacophore Models to Discover Diverse Ligands Against EGFR in Oral Cancer	24
Biological and computational evaluation of novel benzofuranyl derivatives as acetylcholinesterase and butyrylcholinesterase inhibitors	22
Novel Set of Highly Substituted Bis-Pyridines: Synthesis, Molecular Docking and Drug-Resistant Antibacterial Profile	22
In vivo evaluation of novel synthetic pyrazolones as CDK9 inhibitors with enhanced pharmacokinetic properties	21
Design, synthesis and inhibition evaluation of novel chalcone amide α-glucosidase inhibitors	20
Discovery of Novel Covalent Inhibitors of DJ-1 Through Hybrid Virtual Screening	20
Advances in AR-Targeting Chimeras: A Case Study of proteolysis-targeting Chimeras From Bench to Bedside	20
Rh(III) and Ru(II) Complexes With Phosphanyl–Alkylamines: Inhibition of DNA Synthesis Induced By Anticancer Rh Complex	19
Synergistic effect of new pyrimidine derivative with oxacilin against methicillin-resistant Staphylococcus aureus	19
Recent advances in the design and development of small-molecule MMP-2 inhibitors	19
New pyrrolopyridine-based Thiazolotriazoles As Diabetics Inhibitors: Enzymatic Kinetics and In Silico Study	18
Basic nitrogen (BaN): a ‘privileged element’ in medicinal chemistry	18

Synthesis, antimicrobial evaluation, HPLC-based compound accumulation and docking studies of 2-methoxybenzoyl thioureas	18
Small-molecule Cathepsin K inhibitors: a medicinal chemistry perspective	18
Synthesis, in vitro and in silico anticancer evaluation of novel pyridin-2-yl estra-1,3,5(10)-triene derivatives	17
Computational Insights Into Novel Inhibitor Indole-Heterocycle Specific Against Glycogen Phosphorylase Isoenzymes Interaction Mechanism	17
Identification of KRAS mutants (G12C, G12D, and G12V) inhibitors	17
Key heterocyclic moieties for the next five years of drug discovery and development	17
Barbiturate–sulfonate hybrids as potent cholinesterase inhibitors: design, synthesis and molecular modeling studies	17
Propargylamine: an Important Moiety in Drug Discovery	17
HDAC8 As an Emerging Target in Drug Discovery With Special Emphasis on Medicinal Chemistry	17
Synthesis of Hydrazinyl–Thiazole Ester Derivatives, in Vitro Trypanocidal and Leishmanicidal Activities	17
Unlocking the power of imidazoquinolines: recent advances in anticancer and immunotherapeutic strategies	16
Novel Xylenyl-Spaced Bis-Thiazoles/Thiazines: Synthesis, Biological Profile as Herpes Simplex Virus Type 1 Inhibitors and in Silico Simulations	16
Management of Adenocarcinoma With Honokiol: Progress So Far and the Way Forward	16
Keto-Bridged Dual Triazole-Linked Benzenesulfonamides As Potent Carbonic Anhydrase and Cathepsin B Inhibitors	15
GANT61 Elevates Chemosensitivity to Cisplatin Through Regulating the Hedgehog, AMPK and cAMP Pathways in Ovarian Cancer	15
γ-Secretase As a Drug Target for Familial Alzheimer's Disease: The Road Less Traveled	15
New thiosemicarbazones: synthesis, structural characterization, in vitro, and in silico evaluation of antiproliferative effects	14
Medicinal Chemistry in Big Pharma has a Gender Diversity Problem	14
HIV-1 Capsid Inhibitors: A Sword to Destroy the Virus	13
Recent Advancements in the Discovery of Cereblon-Based Protease-Targeted Chimeras With Potential for Therapeutic Intervention	13
Targeting TGF-β: Triumphs and Challenges	13
Copper(II) complexes of 2-hydroxy-1-naphthaldehyde Schiff bases: synthesis, in vitro activity and computational studies	13
Potent α-glucosidase inhibitors with benzimidazole-propionitrile hybridization; synthesis, bioassay and docking study	13
Latest developments in photosensitizers: improving stability, specificity and responsiveness	12
How does machine learning augment alchemical binding free energy calculations?	12
Autophagy degradation: a promising dimension in drug discovery for neurodegenerative diseases	12
The versatility of phenothiazines as an anticancer drug scaffold	12
Palbociclib-derived multifunctional molecules for lysosomal targeting and diagnostic-therapeutic integration	11
Latest developments in small molecule analgesics: heterocyclic scaffolds II	11
Treating Neurodegenerative Diseases with Multitarget Drugs: An Interview With Maria João Matos	11
Advances in the synthesis of dehydroacetic acid based pyrazole-pyridine conjugates with promising anti-malarial and anti-inflammatory potentials	11
Proteolysis Targeting Chimeras in Antiviral Research	10
Synthesis of Novel Furan-Based Chalcone Derivatives As Anti-Tuberculosis Agents: In Vitro , Cytotoxicity Assessment and In Silico	10
Dual inhibition of BRAF for cancer treatment: advances and therapeutic potential	10
Novel bis-benzimidazole-triazole hybrids: anticancer study, in silico approaches, and mechanistic investigation	10
Synthesis of indole-functionalized isoniazid conjugates with potent antimycobacterial and antioxidant efficacy	10
Design, Synthesis and Antitumor Activity of Novel pyran-functionalized Uracil Derivatives: Docking Studies	10
Piperazine-1,2,3-triazole Scaffolds: design, synthesis, Anticancer and Antimicrobial Evaluation	10
NeuroClick: Software for Mimicking Click Reaction to Generate Drug-Like Molecules Permeating the Blood–Brain Barrier	9
In vitro anti-breast cancer study of hybrid cinnamic acid derivatives bearing 2-thiohydantoin moiety	9
Novel Effective Small-Molecule Inhibitors of Protein Kinases Related to Tau Pathology in Alzheimer's Disease	9
New Indole Derivatives As Multitarget anti-Alzheimer's Agents: synthesis, Biological Evaluation and Molecular Dynamics	9
Synthesis and Characterization of Potent RIPK3 Inhibitors Based on a Tricyclic Scaffold	9
E3 Ligases: a Potential Multi-Drug Target for Different Types of Cancers and Neurological Disorders	9
Refinement of MEK inhibitors	9
Design, Synthesis and Biological Evaluation of Novel Selective PI3Kδ Inhibitors Containing Pyridopyrimidine Scaffold	9
Explainable Machine Learning for Medicinal Chemistry: Exploring Multi-Target Compounds	9
Novel 2-Indolinone Derivatives as Promising Agents against Respiratory Syncytial and Yellow Fever Viruses	9
19 Schiff Bases as Antimycobacterial Agents: Synthesis, Molecular Docking and a Plausible Mechanism of Action	9
Levamisole Derivatives As Immune Modulators for the Treatment of Amyotrophic Lateral Sclerosis (ALS)	9

Anti-alkaline phosphatases (ALP) potentials of potent 4-aminobenzenesulfonamide derivatives against Naja oxiana venom	9
Synthesis, anti-biofilm and molecular docking of amino-substituted chalcones targeting Staphylococcus aureus sortase A	9
Half-life prediction of central nervous system (CNS) small molecules in humans using gradient tree boosting	9
One-pot synthesis and pharmacological evaluation of new quinoline/pyrimido-diazepines as pulmonary antifibrotic agents	9
The impact of phenotypic- versus target-based approaches in antimalarial drug discovery in the last two decades (2005–2025)	9
Novel Diamides Inspired By Protein Kinase Inhibitors As Anti- Trypanosoma Cruzi Agents: In Vitro and In Vivo	8
Novel Pyrimidine-1,3,4-Oxadiazole Hybrids and Their Precursors As Potential Antimycobacterial Agents	8
A comprehensive review on azole-based hydroxamic acid analogs as histone deacetylases (HDACs) inhibitors	8
Kynomycin: A Beacon of Hope in the Battle Against Antibiotic Resistance	8
The current landscape of indole hybrids with in vivo antitumor potential	8
“Spiro-pyrrolizidine-benzyloxy hybrid as synergistic partner to doxorubicin cardio-safe breast cancer chemotherapy”	8
Thiazolidinedione–Triazole Conjugates: Design, Synthesis and Probing of the α-Amylase Inhibitory Potential	8
Design, synthesis and mechanistic exploration of anti-plasmodial Indolo[2,3- b ]quinoxaline-7-chloroquinoline hybrids	8
Novel Benzochromenes: Design, Synthesis, Cytotoxicity, Molecular Docking and Mechanistic Investigations	8
BioPrint Meets the AI Age: Development of Artificial Intelligence-Based ADMET Models for the Drug-Discovery Platform SAFIRE	8
Recent advances in the investigation of the quinazoline nucleus and derivatives with potential anticancer activities	8
Recent Advances in dehydroacetic acid-clubbed pyridine conjugates: design, synthesis, characterization, molecular docking investigations and evaluation of anti-cancer efficacy	8
Design, Synthesis and Bio-Evaluation of Indolin-2-Ones As Potential Antidiabetic Agents	8
Dorzolamide Suppresses PKCδ -TIRAP-p38 MAPK Signaling Axis to Dampen the Inflammatory Response	8
Autophagosome degraders: a novel therapeutic strategy with broad application potential in human diseases	8
Transition metal complexes: next-generation photosensitizers for combating Gram-positive bacteria	8
New Theobromine Derivatives Inhibiting VEGFR-2: Design, Synthesis, Antiproliferative, Docking and Molecular Dynamics Simulations	8
Mucin Glycosylation: A Potential Target for Prostate Cancer Management	8
Selenium: The Emerging Element in the Medicinal Chemist’s Toolkit	8
Overcoming translational barriers in RNA–protein docking: enhancing computational accuracy for targeted drug discovery	8
Clinical Progress of KRAS-targeted Therapies: What next?	8
Targeted small molecule therapy and inhibitors for lymphoma	8
Novel coumarin linked pyrazoles, thiazoles, and thiadiazoles: synthetic strategies and in vitro antimicrobial investigation	7
Synthesis of Hydrazinylthiazole Carboxylates: A Mechanistic Approach for Treatment of Diabetes and Its Complications	7
In-vitro and in-silico assessment of thiazole-thiazolidinone derivatives as selective inhibitors of urease and α-glucosidase	7
CK1 Delta Inhibition: An Emerging Strategy to Combat Neurodegenerative Diseases	7
Welcome to the 16th Volume of Future Medicinal Chemistry	7
Synthesis, characterization and biological evaluation of aurones as potential neuroprotective agents	7
Ultrasonic-assisted synthesis and antitumor evaluation of novel variant heterocyclic compounds based on piperidine ring	7
Benzimidazole-acrylonitrile hybrid derivatives act as potent urease inhibitors with possible fungicidal activity	7
Advancement of Targeted Protein Degradation Strategies As Therapeutics for Undruggable Disease Targets	7
From clove oil to bioactive agents: synthetic routes, antimicrobial and antiparasitic activities of eugenol derivatives	7
Evidence-based drug discovery	7
Antimicrobial, Anticancer and Immunomodulatory Potential of New Quinazolines Bearing Benzenesulfonamide Moiety	7
Research Progress on Tamoxifen and Its Analogs Associated With Nuclear Receptors	7
Development of Small Macrocyclic Kinase Inhibitors	7
The emerging field of senotherapeutic drugs	7
Novel 4-Aminoquinoline Analogs Targeting the HIF-1α Signaling Pathway	7
Development of indole hybrids for potential lung cancer treatment-part I: nitrogen-containing six-membered aromatic heterocycles	7
New thiazolidin-4-ones as anti-cervical cancer agents targeting EGFR: design, synthesis, and computational studies	7
Organoselenium compounds beyond antioxidants	7
The anticancer therapeutic potential of pyrimidine–sulfonamide hybrids	7
Virtual and Augmented Reality Applications in Medicinal Chemistry	7
Synthesis, anticancer activity and computational studies of new benzimidazole-triazole-pyridine glycoside conjugates	6
Tetrahydroquinoline: An Efficient Scaffold As mTOR Inhibitor for the Treatment of Lung Cancer	6
Synthesis, biological evaluation and molecular docking of novel 2-pyrazoline-1-carboxamides as anti-Alzheimer agents	6
Expanding potential of quinoline hydrazide/hydrazone derivatives as anticancer agents	6
Cyclin-Dependent Kinases As Potential Targets for Colorectal Cancer: Past, Present and Future	6
Recent developments in matrine as a versatile molecular scaffold in small molecule drug discovery	6
Dual VEGFR-2 and EGFR T790M inhibitors of phenyldiazenes: anticancer evaluations, ADMET, docking, design and synthesis	6
Network Analysis and Ligand-Based Pharmacophore Modeling for Discovery of Small Molecule Against Glioblastoma Multiforme	6
Synthesis and antiproliferative evaluation of novel 3,5,8-trisubstituted coumarins against breast cancer	6
Challenging Breast Cancer Through Novel sulfonamide–pyridine Hybrids: design, synthesis, Carbonic Anhydrase IX Inhibition and Induction of Apoptosis	6
Design and synthesis of newer 5-aryl- N -(naphthalen-2-yl)-1,3,4-oxadiazol-2-amine analogues as anticancer agents	6
Key developments in fluorinated heterocycles	6
Benzo[ d ]thiazole-2-Carboxamides As New Antituberculosis Chemotypes Inhibiting Mycobacterial ATP Phosphoribosyl Transferase	6
Therapeutic potential of chalcone-1,2,3-triazole hybrids as anti-tumour agents: a systematic review and SAR studies	6
Therapeutic targeting of neuroinflammation in methamphetamine use disorder	6
Hybrid chalcone-pyrazoline derivatives: synthesis and in silico evaluation for anticancer potential	6
Proteolysis-Targeting Chimera Molecules Targeting SHP2	6
Design and Synthesis of Selective FLT3 Inhibitors Via Exploration of Back Pocket II	6
Establishment of Models for Reliability Evaluation of 3CLpro Ligand-Receptor Complexes With Different Binding Sites	6
Optimizing selective estrogen receptor degraders for anticancer drug development	6
Our New Year's (re)solution: Welcome to the 15th Volume of Future Medicinal Chemistry	6
Human Sirtuin 2 inhibitors, Their Mechanisms and Binding Modes	6
Coumarin hybrids: dual-target candidates for future antimicrobial and antitubercular therapies	6
Designing molecular hybrids as novel breast cancer therapeutics	6
Design, Synthesis and Anticancer Evaluation of Some Novel 7-Hydroxy-4-Methyl-3-Substituted Benzopyran-2-One Derivatives	6
Synthesis and Anti-Ovarian Cancer Effects of Benzimidazole-2-Substituted Pyridine and Phenyl Propenone Derivatives	6
Design and synthesis of novel N -phenyl-4-pyrimidine-diamine BCL6 inhibitors with anti -tumor activities	6
Pyrazine-based small molecule kinase inhibitors: clinical applications and patent review (2019–2023)	6
The antibreast cancer therapeutic potential of quinazoline hybrids–Part I	6
Development of indole hybrids for potential lung cancer treatment - part II	5
Synthesis, cytotoxicity and 99m Tc-MIBI tumor cell uptake evaluation of 2-phenylbenzothiazole tagged triazole derivatives	5
Design, Synthesis and Structure–Activity Relationship Studies of Novel Spirochromanone Hydrochloride Analogs As Anticancer Agents	5

Recent Progress of Palmitoyl Transferase DHHC3 As a Novel Antitumor Target	5
Enoxacin-Based Derivatives: Antimicrobial and Antibiofilm Agent: A Biology-Oriented Drug Synthesis (BIODS) Approach	5
Protein-protein interactions in cGAS-STING pathway: a medicinal chemistry perspective	5
Semicarbazone, thiosemicarbazone tailed isoxazoline-pyrazole: synthesis, DFT, biological and computational assessment	5
Advances in Research With Rutin-Loaded Nanoformulations in Mitigating Lung Diseases	5
Conjugated Carbon Monoxide-Releasing Molecules have Broad-Spectrum Antimicrobial Activity	5
Regulation of post-translational modification of PD-L1 and associated opportunities for novel small-molecule therapeutics	5
Combining Virtual Screening and In Vitro Evaluation for the Discovery of Potential CYP11B2 Inhibitors	5
Synthesis and in vivo studies of metformin analogues for management of impaired metabolic syndrome in pancreatic ductal adenocarcinoma	5
Recent development of azole–sulfonamide hybrids with the anticancer potential	5
Exploring the therapeutic potential and chemical properties of trans-chalcone: a comprehensive review	5
Design and Synthesis of Novel Aza-Ursolic Acid Derivatives: In Vitro Cytotoxicity and Nitric Oxide Release Inhibitory Activity	5
Evaluation of novel nitrophenol-triazole hybrid molecules: biological screening and computational profiling	5
Innovative virtual screening of PD-L1 inhibitors: the synergy of molecular similarity, neural networks and GNINA docking	5
Environment benign synthesis of 5-acyl-4-hydroxypyridin-2(1 H )-one derivatives as antioxidant and α -amylase inhibitors	5
Unveiling the potential of HS-1793: a review of its anticancer properties and therapeutic promise	5
Preclinical characterization of a water-soluble low-impact ampakine prodrug, CX1942 and its active moiety, CX1763	5
Design, synthesis and biological evaluation of sulfamethazine derivatives as potent neuraminidase inhibitors	5
Exploring the antimicrobial and cytotoxic potential of novel chloroquine analogues	5
Research landscape of hydroxamic acid hybrids with therapeutic potential against prostate cancer: a decade of advances	5
New and potential boron-containing compounds for treatment of Alzheimer's disease and cancers	5
Prioritizing oral bioavailability in drug development strategies	5
Advances in hydroxamic acid hybrids for liver cancer therapy: a decade of progress (2016–2025)	5
Design, semi-synthesis and bioevaluation of koumine-like derivatives as potential antitumor agents in vitro and in vivo	5
Synthesis of 2,4-dihydroxyacetophenone derivatives as potent PDE-1 and -3 inhibitors: in vitro and in silico insights	5
Gold: Not Just jewelry…	5
Thiourea-functionalized aminoglutethimide derivatives as anti-leishmanial agents	5
A novel class of potent antiangiogenic and antioxidant pyrazoles: synthesis, bioactivity, docking and ADMET studies	5
Pharmacokinetic Correlation of Structurally Modified Chalcone Derivatives As Promising Leads to Treat Tuberculosis	5
Application of a Fluorescent H 2 S Probe Based on Excited-State Intramolecular Proton Transfer for Detecting Latent Mechanism of H 2	5
Design, synthesis, and molecular docking studies of thiazole derivatives against phospholipase A 2 ( Naja oxiana ) venom	5
Glyco Disulfide Capped Gold Nanoparticle Synthesis: Cytotoxicity Studies and Effects on Lung Cancer A549 Cells	5
Urea-sugar and thiourea-sugar diastereomers: synthesis, crystal structure and biological activities	5