Future Medicinal Chemistry

Article	Citations
In vivo evaluation of novel synthetic pyrazolones as CDK9 inhibitors with enhanced pharmacokinetic properties	65
Identification of Sulfonamide-Based Butyrylcholinesterase Inhibitors Using Machine Learning	55
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	54
Therapeutic N -Heterocyclic Carbenes: An Interview With Alejandro Bugarin	47
Biological and computational evaluation of novel benzofuranyl derivatives as acetylcholinesterase and butyrylcholinesterase inhibitors	45
Development of 5-hydroxybenzothiophene derivatives as multi-kinase inhibitors with potential anti-cancer activity	42
The Connection Between PARP14 and SARS-CoV-2	36
Targeting Tuberculosis – An Interview With Robert Abramovitch	31
Design and synthesis of new nicotinamides as immunomodulatory VEGFR-2 inhibitors and apoptosis inducers	29
Investigations of New N 1 -Substituted Pyrazoles as Anti-Inflammatory and Analgesic Agents having COX Inhibitory Act	28
Super-Conserved Receptors Expressed in the Brain: Biology and Medicinal Chemistry Efforts	27
Novel Set of Highly Substituted Bis-Pyridines: Synthesis, Molecular Docking and Drug-Resistant Antibacterial Profile	25
Synergistic effect of new pyrimidine derivative with oxacilin against methicillin-resistant Staphylococcus aureus	24
α-Glucosidase-targeting 1,2,4-triazole antidiabetic candidates: comparative analysis and future perspectives	24
Discovery of Novel Covalent Inhibitors of DJ-1 Through Hybrid Virtual Screening	24
Rh(III) and Ru(II) Complexes With Phosphanyl–Alkylamines: Inhibition of DNA Synthesis Induced By Anticancer Rh Complex	23
Propargylamine: an Important Moiety in Drug Discovery	23
Recent advances in the design and development of small-molecule MMP-2 inhibitors	21
Identification of KRAS mutants (G12C, G12D, and G12V) inhibitors	21
Basic nitrogen (BaN): a ‘privileged element’ in medicinal chemistry	21
Small-molecule Cathepsin K inhibitors: a medicinal chemistry perspective	21
Synthesis, antimicrobial evaluation, HPLC-based compound accumulation and docking studies of 2-methoxybenzoyl thioureas	20
Computational Insights Into Novel Inhibitor Indole-Heterocycle Specific Against Glycogen Phosphorylase Isoenzymes Interaction Mechanism	20
New pyrrolopyridine-based Thiazolotriazoles As Diabetics Inhibitors: Enzymatic Kinetics and In Silico Study	20
Novel Xylenyl-Spaced Bis-Thiazoles/Thiazines: Synthesis, Biological Profile as Herpes Simplex Virus Type 1 Inhibitors and in Silico Simulations	19

Synthesis, in vitro and in silico anticancer evaluation of novel pyridin-2-yl estra-1,3,5(10)-triene derivatives	19
Design, synthesis and inhibition evaluation of novel chalcone amide α-glucosidase inhibitors	19
Wogonin-derived chemotype enables discovery of novel GLS1 inhibitors with potent antitumor activity	18
HDAC8 As an Emerging Target in Drug Discovery With Special Emphasis on Medicinal Chemistry	18
Synthesis of Hydrazinyl–Thiazole Ester Derivatives, in Vitro Trypanocidal and Leishmanicidal Activities	18
Barbiturate–sulfonate hybrids as potent cholinesterase inhibitors: design, synthesis and molecular modeling studies	18
Management of Adenocarcinoma With Honokiol: Progress So Far and the Way Forward	17
γ-Secretase As a Drug Target for Familial Alzheimer's Disease: The Road Less Traveled	17
Advances in AR-Targeting Chimeras: A Case Study of proteolysis-targeting Chimeras From Bench to Bedside	17
Keto-Bridged Dual Triazole-Linked Benzenesulfonamides As Potent Carbonic Anhydrase and Cathepsin B Inhibitors	17
Key heterocyclic moieties for the next five years of drug discovery and development	17
Potent α-glucosidase inhibitors with benzimidazole-propionitrile hybridization; synthesis, bioassay and docking study	16
Recent Advancements in the Discovery of Cereblon-Based Protease-Targeted Chimeras With Potential for Therapeutic Intervention	16
Medicinal Chemistry in Big Pharma has a Gender Diversity Problem	16
New thiosemicarbazones: synthesis, structural characterization, in vitro, and in silico evaluation of antiproliferative effects	15
Unlocking the power of imidazoquinolines: recent advances in anticancer and immunotherapeutic strategies	15
Copper(II) complexes of 2-hydroxy-1-naphthaldehyde Schiff bases: synthesis, in vitro activity and computational studies	15
Treating Neurodegenerative Diseases with Multitarget Drugs: An Interview With Maria João Matos	15
Advances in the synthesis of dehydroacetic acid based pyrazole-pyridine conjugates with promising anti-malarial and anti-inflammatory potentials	14
Palbociclib-derived multifunctional molecules for lysosomal targeting and diagnostic-therapeutic integration	14
Latest developments in photosensitizers: improving stability, specificity and responsiveness	13
Design, Synthesis and Antitumor Activity of Novel pyran-functionalized Uracil Derivatives: Docking Studies	13
Novel bis-benzimidazole-triazole hybrids: anticancer study, in silico approaches, and mechanistic investigation	13
Mechanosynthesis and computational studies of new imidazole-based selenium adducts as potential anticancer agents against human prostate and cervical cancer	13
Synthesis of indole-functionalized isoniazid conjugates with potent antimycobacterial and antioxidant efficacy	13
Azetidines in medicinal chemistry: emerging applications and approved drugs	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	12
Synthesis of Novel Furan-Based Chalcone Derivatives As Anti-Tuberculosis Agents: In Vitro , Cytotoxicity Assessment and In Silico	12
Unveiling the potential of zingerone-1,2,3-triazole derivatives as dual anticancer and COX-2 inhibitor: design, synthesis, and biological assessments	12
Piperazine-1,2,3-triazole Scaffolds: design, synthesis, Anticancer and Antimicrobial Evaluation	12
How does machine learning augment alchemical binding free energy calculations?	11
Refinement of MEK inhibitors	11
Targets for bacterial resistance: recent advances in small-molecule FtsZ inhibitors	11
Latest developments in small molecule analgesics: heterocyclic scaffolds II	11
Levamisole Derivatives As Immune Modulators for the Treatment of Amyotrophic Lateral Sclerosis (ALS)	11
Dual inhibition of BRAF for cancer treatment: advances and therapeutic potential	11
The versatility of phenothiazines as an anticancer drug scaffold	11
Novel Effective Small-Molecule Inhibitors of Protein Kinases Related to Tau Pathology in Alzheimer's Disease	11
Selenium: The Emerging Element in the Medicinal Chemist’s Toolkit	10
NeuroClick: Software for Mimicking Click Reaction to Generate Drug-Like Molecules Permeating the Blood–Brain Barrier	10
Design, Synthesis and Bio-Evaluation of Indolin-2-Ones As Potential Antidiabetic Agents	10
The current landscape of indole hybrids with in vivo antitumor potential	10
Half-life prediction of central nervous system (CNS) small molecules in humans using gradient tree boosting	10
Targeted small molecule therapy and inhibitors for lymphoma	10
“Spiro-pyrrolizidine-benzyloxy hybrid as synergistic partner to doxorubicin cardio-safe breast cancer chemotherapy”	10
One-pot synthesis and pharmacological evaluation of new quinoline/pyrimido-diazepines as pulmonary antifibrotic agents	10
Explainable Machine Learning for Medicinal Chemistry: Exploring Multi-Target Compounds	10
Novel Benzochromenes: Design, Synthesis, Cytotoxicity, Molecular Docking and Mechanistic Investigations	10
In vitro anti-breast cancer study of hybrid cinnamic acid derivatives bearing 2-thiohydantoin moiety	10

Design, synthesis, and antidiabetic activity of new furan-clubbed 1,2,3-triazole derivatives as α -glucosidase inhibitors	10
New Theobromine Derivatives Inhibiting VEGFR-2: Design, Synthesis, Antiproliferative, Docking and Molecular Dynamics Simulations	10
A comprehensive review on azole-based hydroxamic acid analogs as histone deacetylases (HDACs) inhibitors	10
Design, Synthesis and Biological Evaluation of Novel Selective PI3Kδ Inhibitors Containing Pyridopyrimidine Scaffold	10
Anti-alkaline phosphatases (ALP) potentials of potent 4-aminobenzenesulfonamide derivatives against Naja oxiana venom	10
Synthesis, anti-biofilm and molecular docking of amino-substituted chalcones targeting Staphylococcus aureus sortase A	10
Medicinal chemistry approaches for dual inhibition of amyloid-β and tau aggregation in Alzheimer’s disease	10
The impact of phenotypic- versus target-based approaches in antimalarial drug discovery in the last two decades (2005–2025)	10
Advancement of Targeted Protein Degradation Strategies As Therapeutics for Undruggable Disease Targets	9
New Indole Derivatives As Multitarget anti-Alzheimer's Agents: synthesis, Biological Evaluation and Molecular Dynamics	9
Clinical Progress of KRAS-targeted Therapies: What next?	9
Recent Advances in dehydroacetic acid-clubbed pyridine conjugates: design, synthesis, characterization, molecular docking investigations and evaluation of anti-cancer efficacy	9
Kynomycin: A Beacon of Hope in the Battle Against Antibiotic Resistance	9
Novel Pyrimidine-1,3,4-Oxadiazole Hybrids and Their Precursors As Potential Antimycobacterial Agents	9
Mucin Glycosylation: A Potential Target for Prostate Cancer Management	9
Recent advances in the investigation of the quinazoline nucleus and derivatives with potential anticancer activities	9
Design, synthesis and mechanistic exploration of anti-plasmodial Indolo[2,3- b ]quinoxaline-7-chloroquinoline hybrids	9
Novel Diamides Inspired By Protein Kinase Inhibitors As Anti- Trypanosoma Cruzi Agents: In Vitro and In Vivo	9
Autophagosome degraders: a novel therapeutic strategy with broad application potential in human diseases	9
19 Schiff Bases as Antimycobacterial Agents: Synthesis, Molecular Docking and a Plausible Mechanism of Action	9
Novel 2-Indolinone Derivatives as Promising Agents against Respiratory Syncytial and Yellow Fever Viruses	9
Overcoming translational barriers in RNA–protein docking: enhancing computational accuracy for targeted drug discovery	9
Synthesis of Hydrazinylthiazole Carboxylates: A Mechanistic Approach for Treatment of Diabetes and Its Complications	8
BioPrint Meets the AI Age: Development of Artificial Intelligence-Based ADMET Models for the Drug-Discovery Platform SAFIRE	8
Development of indole hybrids for potential lung cancer treatment-part I: nitrogen-containing six-membered aromatic heterocycles	8
New thiazolidin-4-ones as anti-cervical cancer agents targeting EGFR: design, synthesis, and computational studies	8
Evidence-based drug discovery	8
The antineoplastic and therapeutic effects of quinoline compounds against ehrlich ascites carcinoma in mice	8
Design and synthesis of novel N -phenyl-4-pyrimidine-diamine BCL6 inhibitors with anti -tumor activities	8
Ultrasonic-assisted synthesis and antitumor evaluation of novel variant heterocyclic compounds based on piperidine ring	8
Transition metal complexes: next-generation photosensitizers for combating Gram-positive bacteria	8
Synthesis, characterization & molecular docking studies of rationally designed azobenzene-Derived 5-oxoimidazoline derivatives as potent antimicrobial agents	8
From clove oil to bioactive agents: synthetic routes, antimicrobial and antiparasitic activities of eugenol derivatives	8
Thiazolidinedione–Triazole Conjugates: Design, Synthesis and Probing of the α-Amylase Inhibitory Potential	8
CK1 Delta Inhibition: An Emerging Strategy to Combat Neurodegenerative Diseases	8
Network Analysis and Ligand-Based Pharmacophore Modeling for Discovery of Small Molecule Against Glioblastoma Multiforme	8
Welcome to the 16th Volume of Future Medicinal Chemistry	8
Novel pyrimidine-triazole conjugates for targeted inhibition of EGFR: synthesis and biological evaluation	8
Dorzolamide Suppresses PKCδ -TIRAP-p38 MAPK Signaling Axis to Dampen the Inflammatory Response	8
Organoselenium compounds beyond antioxidants	8
In-vitro and in-silico assessment of thiazole-thiazolidinone derivatives as selective inhibitors of urease and α-glucosidase	8
Pyrroloquinoline quinone scaffolds: centrality in anticancer drug design	8
Novel coumarin linked pyrazoles, thiazoles, and thiadiazoles: synthetic strategies and in vitro antimicrobial investigation	8
Novel 4-Aminoquinoline Analogs Targeting the HIF-1α Signaling Pathway	8
The anticancer therapeutic potential of pyrimidine–sulfonamide hybrids	7
The antibreast cancer therapeutic potential of quinazoline hybrids–Part I	7
Pyrazine-based small molecule kinase inhibitors: clinical applications and patent review (2019–2023)	7
Dual VEGFR-2 and EGFR T790M inhibitors of phenyldiazenes: anticancer evaluations, ADMET, docking, design and synthesis	7
Synthesis and antiproliferative evaluation of novel 3,5,8-trisubstituted coumarins against breast cancer	7
Challenging Breast Cancer Through Novel sulfonamide–pyridine Hybrids: design, synthesis, Carbonic Anhydrase IX Inhibition and Induction of Apoptosis	7
Synthesis, anticancer activity and computational studies of new benzimidazole-triazole-pyridine glycoside conjugates	7
Benzo[ d ]thiazole-2-Carboxamides As New Antituberculosis Chemotypes Inhibiting Mycobacterial ATP Phosphoribosyl Transferase	7
Synthesis, biological evaluation and molecular docking of novel 2-pyrazoline-1-carboxamides as anti-Alzheimer agents	7
Design and synthesis of newer 5-aryl- N -(naphthalen-2-yl)-1,3,4-oxadiazol-2-amine analogues as anticancer agents	7
Synthesis, characterization and biological evaluation of aurones as potential neuroprotective agents	7
Research Progress on Tamoxifen and Its Analogs Associated With Nuclear Receptors	7
The emerging field of senotherapeutic drugs	7
Synthesis and Anti-Ovarian Cancer Effects of Benzimidazole-2-Substituted Pyridine and Phenyl Propenone Derivatives	7
Cyclin-Dependent Kinases As Potential Targets for Colorectal Cancer: Past, Present and Future	7
Coumarin hybrids: dual-target candidates for future antimicrobial and antitubercular therapies	7
Exploring the interplay between structure-activity relationship and anticancer potential of pyridine derivatives	7
Designing molecular hybrids as novel breast cancer therapeutics	7
Tetrahydroquinoline: An Efficient Scaffold As mTOR Inhibitor for the Treatment of Lung Cancer	7
Expanding potential of quinoline hydrazide/hydrazone derivatives as anticancer agents	7
Virtual and Augmented Reality Applications in Medicinal Chemistry	7
Design and Synthesis of Selective FLT3 Inhibitors Via Exploration of Back Pocket II	7
Optimizing selective estrogen receptor degraders for anticancer drug development	7
Antimicrobial, Anticancer and Immunomodulatory Potential of New Quinazolines Bearing Benzenesulfonamide Moiety	7
Benzimidazole-acrylonitrile hybrid derivatives act as potent urease inhibitors with possible fungicidal activity	7
Design, Synthesis and Anticancer Evaluation of Some Novel 7-Hydroxy-4-Methyl-3-Substituted Benzopyran-2-One Derivatives	7
Hybrid chalcone-pyrazoline derivatives: synthesis and in silico evaluation for anticancer potential	7
Therapeutic targeting of neuroinflammation in methamphetamine use disorder	7
Structural insights of mycobacterial ATP synthase and recent updates on molecular recognition of Mtb ATP s	7
Synthesis and biological profiling of novel quinoline–thiadiazole–thiazolone scaffolds as antimicrobial agents	7
Design, synthesis and antitumor activity evaluation of 1,4-naphthoquinone-benzene sulfonamide hybrids	6
Research landscape of hydroxamic acid hybrids with therapeutic potential against prostate cancer: a decade of advances	6
Key developments in fluorinated heterocycles	6
A novel class of potent antiangiogenic and antioxidant pyrazoles: synthesis, bioactivity, docking and ADMET studies	6
Recent development of azole–sulfonamide hybrids with the anticancer potential	6
Design, semi-synthesis and bioevaluation of koumine-like derivatives as potential antitumor agents in vitro and in vivo	6

Evaluation of novel nitrophenol-triazole hybrid molecules: biological screening and computational profiling	6
Advances in hydroxamic acid hybrids for liver cancer therapy: a decade of progress (2016–2025)	6
Exploring the antimicrobial and cytotoxic potential of novel chloroquine analogues	6
Design, synthesis, and molecular docking studies of thiazole derivatives against phospholipase A 2 ( Naja oxiana ) venom	6
Synthesis and in vivo studies of metformin analogues for management of impaired metabolic syndrome in pancreatic ductal adenocarcinoma	6
Conjugated Carbon Monoxide-Releasing Molecules have Broad-Spectrum Antimicrobial Activity	6
Urea-sugar and thiourea-sugar diastereomers: synthesis, crystal structure and biological activities	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
Semicarbazone, thiosemicarbazone tailed isoxazoline-pyrazole: synthesis, DFT, biological and computational assessment	6
Innovative virtual screening of PD-L1 inhibitors: the synergy of molecular similarity, neural networks and GNINA docking	6
New and potential boron-containing compounds for treatment of Alzheimer's disease and cancers	6
Synthesis of 2,4-dihydroxyacetophenone derivatives as potent PDE-1 and -3 inhibitors: in vitro and in silico insights	6
Enoxacin-Based Derivatives: Antimicrobial and Antibiofilm Agent: A Biology-Oriented Drug Synthesis (BIODS) Approach	6
Preclinical characterization of a water-soluble low-impact ampakine prodrug, CX1942 and its active moiety, CX1763	6
Gold: Not Just jewelry…	6
Recent advances in the design and development of small molecules against Lpx enzymes for mitigating Pseudomonas aeruginosa infections	6
Recent developments in matrine as a versatile molecular scaffold in small molecule drug discovery	6
Therapeutic potential of chalcone-1,2,3-triazole hybrids as anti-tumour agents: a systematic review and SAR studies	6
Unveiling the potential of HS-1793: a review of its anticancer properties and therapeutic promise	6
Combining Virtual Screening and In Vitro Evaluation for the Discovery of Potential CYP11B2 Inhibitors	6
Protein-protein interactions in cGAS-STING pathway: a medicinal chemistry perspective	6
Prioritizing oral bioavailability in drug development strategies	6
Environment benign synthesis of 5-acyl-4-hydroxypyridin-2(1 H )-one derivatives as antioxidant and α -amylase inhibitors	6
Development of indole hybrids for potential lung cancer treatment - part II	6
Recent advances in targeted degradation in the RAS pathway	6
Synthesis, cytotoxicity and 99m Tc-MIBI tumor cell uptake evaluation of 2-phenylbenzothiazole tagged triazole derivatives	6
Exploring the pharmacological versatility of triazolopyrazine: A multi-target scaffold for drug development	5
Design and evaluation of Ugi-derived peptoids as antibacterial and anticancer agents: experimental and computational insights	5
Medicinal Chemistry Approaches for the Discovery of Plasmodium Falciparum Dihydroorotate Dehydrogenase Inhibitors as Antimalarial Agents	5
Enhancing thiazolide efficacy: C-4 aryl modifications drive selective SARS-CoV-2 inhibition	5
Exploring New Imines as Anti-Inflammatory COX and 5-LOX Inhibitors with an Improved Pharmacokinetic Profile	5
Antimicrobial Potential of Quaternary Phosphonium Salt Compounds: a Review	5
Recent Advances in ATM Inhibitors As Potential Therapeutic Agents	5
Norfloxacin Derivatives as DNA Gyrase and Urease Inhibitors: Synthesis, Biological Evaluation and Molecular Docking	5
Epigenetic therapy meets targeted protein degradation: HDAC-PROTACs in cancer treatment	5
Synthesis of Novel Benzothiophene Derivatives As Protectors Against Cranial Irradiation-Induced Neuroinflammation	5
Targeting the cGAS-STING-TBK1 pathway in cancer therapy	5
Regulation of post-translational modification of PD-L1 and associated opportunities for novel small-molecule therapeutics	5
Exploring digestive enzymes’ differential affectivity of synthesized 2-thienyl-based chalcones	5
Design, synthesis and biological evaluation of sulfamethazine derivatives as potent neuraminidase inhibitors	5
Discovery of bis -chalcones and bis -pyrimidines as potential urease inhibitors: from synthesis to computational insights	5
Design, synthesis, and biological evaluation of pyridine-quinazoline-oxadiazole hybrids as novel MELK inhibitors: in-silico analysis, anti-ovarian cancer	5
Calcium Complexes of Oxicams: New Dimensions in Rheumatoid Arthritis Treatment	5
Exploration of pyrazole-based pyridine-4-carbohydrazide derivatives as drug-resistant Mtb agents: design, synthesis, biological evaluation, and in-silico<	5
Cu(II) complexes based on benzimidazole ligands: synthesis, characterization, DFT, molecular docking & bioactivity study	5
α-Aminophosphonate and oxazaphosphinane compounds as potential cancer inhibitors: in vitro evaluation and computational studies	5
Discovery of isatin-thiazole conjugates as potent urease inhibitors; synthesis, biochemical screening and computational studies	5
Novel isocoumarin–pyrazole hybrids: synthesis, characterization, and investigation of their carbonic anhydrase inhibitory activities	5
Sirtuin Modulators: Past, Present, and Future Perspectives	5
Pharmacokinetic Correlation of Structurally Modified Chalcone Derivatives As Promising Leads to Treat Tuberculosis	5
Pseudo-natural products as next-generation scaffolds: redefining the future of medicinal chemistry	5
Advances in Research With Rutin-Loaded Nanoformulations in Mitigating Lung Diseases	5
Advances of deep Neural Networks (DNNs) in the development of peptide drugs	5
Novel thiazolidine-4-carboxylic acid derivatives: synthesis and inhibitory effects against influenza A	5
Emerging Therapeutic Approaches of SHP2-Targeted Modulators	5
Analysis of antimicrobial activity and biofilm inhibition of Ag-NHC complexes by in-vitro and molecular docking method	5
Molecular basis of ebselen biological activity	5
A comprehensive review of indole hybrids as anti-bacterial and anti-fungal agents: synthetic protocols and SAR studies	5
RNA-targeting therapeutics: drugging the undruggable	5
An Interpretable Machine Learning Model for Selectivity of Small-Molecules Against Homologous Protein Family	5
Exploring the therapeutic potential and chemical properties of trans-chalcone: a comprehensive review	5
Design, synthesis and biological evaluation of novel pyrazole-based compounds as potential chemotherapeutic agents	5
Exploring ACSL4/LPCAT3/ALOX15 and SLC7A11/GPX4/NFE2L2 as Potential Targets in Ferroptosis-Based Cancer Therapy	5
Thiourea-functionalized aminoglutethimide derivatives as anti-leishmanial agents	5
Novel Sulfonamide Derivatives as a Tool to Combat Methicillin-Resistant Staphylococcus Aureus	5