Future Medicinal Chemistry未来药物化学
Future Medicinal Chemistry(英文缩写 FUTURE MED CHEM),ISSN 1756-8919,eISSN 1756-8927,中文译名:未来药物化学 是一本学术期刊。本页汇总该期刊的最新影响因子、分区信息以及最新收录于 PubMed 的文献,帮助您快速了解期刊全貌。
发文量统计区间：2025-09-27 至 2026-09-27，按本站收录文献的发表日期统计。
期刊介绍
历年影响因子趋势
| JCR 数据年份 | 影响因子 | JCR 分区 |
|---|---|---|
| 2021 | 4.767 | Q2 |
| 2022 | 4.200 | Q2 |
| 2023 | 3.200 | Q3 |
| 2024 | 3.400 | Q2 |
| 2025 | 3.300 | Q3 |
Future Medicinal Chemistry 最新收录文献
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1. Gramicidin S analogues as a pathway to overcome antimicrobial resistance.
PMID:日期:2026-09-25The growing occurrence of antimicrobial resistance represents a major challenge to global healthcare and necessitates the development of novel therapeutic agents capable of overcoming multidrug-resistant (MDR) pathogens. Gramicidin S (GS), a cyclic decapeptide antibiotic has attracted renewed interest as a promising template for next-generation antimicrobial therapeutics. Its primary mechanism of action involves disruption of bacterial membranes, resulting in rapid bactericidal activity and a low propensity for resistance development. This review summarizes current knowledge on the activity of GS and its analogues against clinically relevant MDR bacteria. Despite antibiotic's long history of clinical use, resistance to GS remains limited. However, its broader therapeutic application is constrained by cytotoxicity, which has driven extensive efforts toward structural optimization. We discuss recent advances in the design of GS analogues, highlighting key structure-activity relationships involving cationic charge, hydrophobicity, amphipathicity and conformational flexibility. Strategies such as β-turn modification, incorporation of non-proteinogenic amino acids and machine learning-guided design have yielded derivatives with improved selectivity and reduced toxicity. These findings underscore the potential of GS as a versatile platform for developing novel peptide antibiotics to combat antimicrobial resistance.
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2. Rational design and synthesis of sulfonamide-substituted coumarinyl-imidazolone hybrids against multidrug-resistant microbial strains: computational and biological evaluation studies.
PMID:日期:2026-09-24The longstanding use of sulfonamides has contributed to the emergence of multidrug-resistant (MDR) pathogens, posing a major challenge to antimicrobial therapy worldwide. In response, a series of sulfonamide-linked coumarinyl-imidazolone derivatives () were rationally designed and synthesized to identify potential antimicrobial candidates. Structures were confirmed by spectroscopic techniques. studies, including molecular docking, molecular dynamics (MD) simulations, and ADMET analysis, correlated with the observed biological activity. Compounds (-11.97 kcal/mol) and (-9.91 kcal/mol) demonstrated excellent binding toward sterol 14α-demethylase (CYP51) and PBP2a of methicillin-resistant (MRSA), respectively, while MD simulations support stable complexes. findings identified compounds , , and as potent leads, exhibiting significant antimicrobial activity with minimum inhibitory concentration (MIC) values ranging from 15 to 500 µg/mL and antioxidant activity with DPPH IC values of 6.05 ± 0.57, 7.57 ± 0.36, and 6.35 ± 0.51 μM, respectively. Frontier Molecular Orbital (FMO) analysis further substantiated the reactivity and stability of the lead candidates, with compound displaying the lowest energy gap (2.66 eV), indicating enhanced reactivity. Compounds , , and exhibited potent antimicrobial and antioxidant activities, highlighting their promise as multifunctional antimicrobial scaffolds against MDR pathogens.
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3. "Sustainable synthesis and biological evaluation of novel benzo[4,5]imidazo[1,2-a]pyrimidine carboxamide derivatives".
PMID:日期:2026-09-21To develop a sustainable synthetic protocol for novel imidazo[1,2-a]pyrimidine derivatives using an ionic liquid catalyst and evaluate their antimicrobial and anticancer potential. Twenty imidazo[1,2-a]pyrimidine derivatives (KTI-1 to KTI-20) were synthesized using a recyclable diisopropylethylammonium heptanoate [DIPEA][CCOO] under solvent-free conditions. Antimicrobial activity, cytotoxicity against the KB-31 oral carcinoma cells, molecular docking, molecular dynamics simulations, and Absorption, Distribution, Metabolism, Excretion, Toxicity and drug-likeness analyses were performed. The optimized method afforded target compounds in 87 - 94% yields within 6 - 9 min. Selected compounds showed antimicrobial activity with minimum inhibitory concentration (MIC) values of 15.62 to 31.26 μg/mL, with KTI -2, KTI -13, and KTI -18 being the most active; KTI-2 showed the highest cytotoxicity (IC = 41.78 μg/mL). Molecular docking against 6SNU, 1T8I, 1IYL, and 6BHX revealed binding affinities (-10.3 to -6.5 kcal/mol), while molecular dynamics simulations confirmed stability. Key interactions involved Gly293, Lys288, Leu295, Ser291, Thr501, Tyr225, and Ile297. Analyses indicated Lipinski's compliance, human intestinal absorption of 87.54-90.58%, bioavailability of 0.55, favorable solubility and low predicted toxicity. The synthesized derivatives demonstrated promising antimicrobial and anticancer activities supported by computational studies and pharmacokinetics. However, selectivity toward normal cells was not evaluated, and further mechanistic and studies are required.
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4. Antifungal metallacarboranes modulate Hsp90 activity.
PMID:日期:2026-09-21Despite growing interest in metallacarborane biological activity, the molecular targets underlying their antifungal activity remain unknown. This study aimed to identify protein targets of antifungal metallacarborane derivatives in and to characterize their interaction with the molecular chaperone Hsp90. Affinity chromatography using chromatographic beads bearing immobilized [CoSAN-I] was employed to pull down proteins from cell lysate. Captured proteins were identified by MALDI-TOF mass spectrometry. Direct binding of [CoSAN], [CoSAN-I], and its derivatives to recombinant Hsp90 was confirmed by affinity chromatography and surface plasmon resonance. The effect of compounds on Hsp90 ATPase activity was assessed using a malachite green phosphate release assay. Molecular docking and DFT (Density Functional Theory) calculations were performed to rationalize binding mechanisms. MALDI-TOF analysis identified 72 interacting proteins, of which 14 are established antifungal targets; Hsp90 showed the highest sequence coverage (82.7%). SPR confirmed direct, multivalent binding of all metallacarborane derivatives to Hsp90. The compounds modulated Hsp90 activity in a biphasic, dose-dependent manner, with maximal activation of 82-107% at 50-75 µM. Metallacarboranes directly engage and functionally modulate Candida albicans Hsp90, establishing a novel mechanistic basis for their antifungal activity and providing a rational framework for the development of boron-cluster-based therapeutics.
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5. {"_":"Design, synthesis, and computational assessment of ‑oxadiazole ligands targeting α-amylase and α-glucosidase: DFT, docking, and ADME studies.","i":["bis"]}
PMID:日期:2026-09-18Type 2 diabetes mellitus (T2DM) is a chronic metabolic disorder characterized by persistent hyperglycemia, mainly due to postprandial glucose elevation. Inhibition of carbohydrate-hydrolyzing enzymes such as α-glucosidase and α-amylase is an effective strategy for its management. This study aimed to design, synthesize, characterize, and evaluate a series of bis-oxadiazole derivatives as potential anti-diabetic agents. The target compounds were synthesized via multistep organic synthesis and structurally confirmed using spectroscopic techniques including FTIR, NMR, and HRMS. The in-vitro anti-diabetic potential was assessed through α-glucosidase and α-amylase inhibition assays. In addition, molecular docking studies were performed to investigate binding interactions and conformational stability within the active sites of both enzymes. Absorption, distribution, metabolism, excretion, and toxicity (ADMET) profiling was also carried out to evaluate drug-likeness and pharmacokinetic properties. Among the synthesized derivatives, compound 10 exhibited the most potent activity, showing IC values of 1.80 and 2.10 μM against α-amylase and α-glucosidase, respectively, in comparison with the positive control acarbose (IC = 5.50 and 5.60 μM, respectively). Compound 10 exhibited the most potent inhibitory activity against both enzymes, showing strong binding affinity and key hydrogen-bonding and hydrophobic interactions in docking studies. The spectroscopic characterization confirmed the successful formation of all target compounds. ADMET analysis indicated favorable pharmacokinetic and toxicity profiles for the most active derivatives. The combined experimental and computational results demonstrate significant structure-activity relationships within the bis-oxadiazole scaffold, identifying compound 10 as a promising lead candidate for further optimization as a dual enzyme inhibitor for diabetes management.
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6. Recent advances in the therapeutic potential of quinoline-piperazine hybrids.
PMID:日期:2026-09-18This review summarizes the therapeutic potential of quinoline-piperazine hybrid molecules having no spacer/linker in between highlighting their potential therapeutic applications in various diseases that include viral infections, tuberculosis, malaria, fungal infections, microbial diseases, cancer, inflammatory disorders, and diabetes. The C-2 position of the quinoline ring is most frequently explored site for piperazine substitution, in comparison, substitutions at the C-4 and C-7 positions have been moderately investigated, whereas C-3 substitution remains relatively less explored and structure activity relationships associated with these hybrids have been explored broadly identifying key factors that influence their biological efficacy. Additionally, the electronic nature of the functional groups (i.e. electron donating or withdrawing) significantly influences the biological activity of the resulting molecules. Pharmacokinetic properties of the most potent quinoline-piperazine hybrids have been discussed. This review gives an insight into the designing and optimization of quinoline-piperazine hybrids as promising therapeutic agents.
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7. Exploring the antidiabetic potential of DHA-salicylaldehyde-chalcone endowed 1,2,3-triazole hybrids: synthesis, α-glucosidase inhibition and molecular modeling studies.
PMID:日期:2026-09-15The present research work aims to synthesize and explore the α-glucosidase inhibition potentials of DHA-salicylaldehyde-chalcone endowed 1,2,3-triazoles to counter diabetes mellitus. A series of DHA-salicylaldehyde-chalcone endowed 1,2,3-triazole hybrids () was synthesized and characterized using various spectral techniques FTIR, NMR, and HRMS. The hybrids were further assayed for α-glucosidase inhibition. The findings were further justified by studies. The findings of study suggested triazole hybrid as the most potent α-glucosidase inhibitor (IC = 1.35 µM) compared to acarbose (IC = 13.5 µM). Molecular docking (MD) investigations of ligand-protein complex revealed favorable binding interactions. The hybrid exhibited maximum inhibition of α-glucosidase enzyme with favorable binding interactions, suggesting this framework is a potential lead motif for future antidiabetic drug discovery.
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8. Indole hybrids as promising anti-hepatocellular carcinoma agents: a comprehensive review of recent advances and therapeutic prospects.
PMID:日期:2026-09-15Hepatocellular carcinoma (HCC), the primary type of liver cancer, ranks among the leading causes of cancer-related deaths globally due to its high incidence and poor prognosis. Moreover, the high recurrence rate and acquired resistance to existing therapies further exacerbate the therapeutic challenges of HCC, underscoring the urgent need for novel and potent anti-HCC agents. Indole hybrids exhibit prominent advantages in HCC treatment by acting on multiple targets implicated in tumor progression, a feature that enables more comprehensive anticancer effects than single-target agents. Besides, indole hybrids may help mitigate drug resistance to conventional therapies, addressing a major clinical challenge. Their preliminary favorable safety performance, with minimal damage to normal liver tissues, warrants further investigation for therapeutic application. Moreover, preclinical studies have demonstrated their ability to inhibit HCC growth and metastasis, supporting their promise as novel candidates for HCC therapy. This review summarizes the current landscape of indole hybrids developed from 2021 to the present that exhibit anti-HCC potential, aiming to open new avenues for the discovery of novel anti-HCC candidates.
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9. Coumarin derivatives combating antibacterial resistance: molecular modeling-driven insights and comprehensive SAR elucidation targeting DNA gyrase and topoisomerase IV.
PMID:日期:2026-09-11Antimicrobial resistance continues to threaten the effectiveness of current antibacterial therapies, creating an urgent need for novel chemotypes that act through alternative mechanisms. Among these, coumarin derivatives have emerged as promising inhibitors of bacterial type II topoisomerases, particularly DNA gyrase and topoisomerase IV, owing to their structural versatility and ability to target the ATP-binding domain. This review critically summarizes advances reported in the past decade in the design and biological evaluation of coumarin-based antibacterial agents targeting these enzymes. Recent medicinal chemistry efforts demonstrate that rational structural modification, including heterocycle hybridization, linker optimization, scaffold rigidification and electronic tuning, markedly enhances enzyme inhibition, antibacterial potency and, in several cases, dual-target activity. Computational investigations consistently support experimental findings by identifying conserved binding interactions that explain the improved activity of optimized analogues. Overall, the collective evidence establishes coumarin as a highly adaptable scaffold for the development of next-generation antibacterial agents and highlights integrated structure-based design, dual-target inhibition, and comprehensive biological validation as key priorities for future medicinal chemistry research. Literature was collected from databases including PubMed, Scopus and Web of Science, covering studies published from 2016 to 2026.
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10. A call for applications of drug repurposing/secondary pharmaceutical combinations strategy.
PMID:日期:2026-09-11该文献暂无摘要。