Future Medicinal Chemistry

Article	Citations
An overview of drug discovery and development	125
10 years into the resurgence of covalent drugs	68
Ligand and structure-based virtual screening applied to the SARS-CoV-2 main protease: an in silico repurposing study	67
De novodesign of new chemical entities for SARS-CoV-2 using artificial intelligence	56
N-heterocyclic carbene-metal complexes as bio-organometallic antimicrobial and anticancer drugs, an update (2015–2020)	52
Computational repurposing of benzimidazole anthelmintic drugs as potential colchicine binding site inhibitors	50
Antiproliferative effects of boswellic acid-loaded chitosan nanoparticles on human lung cancer cell line A549	49
Evidence supporting the use of peptides and peptidomimetics as potential SARS-CoV-2 (COVID-19) therapeutics	47
Tackling SARS-CoV-2: proposed targets and repurposed drugs	43
Anthraquinone: a promising scaffold for the discovery and development of therapeutic agents in cancer therapy	38
HeroMDAnalysis: an automagical tool for GROMACS-based molecular dynamics simulation analysis	37
The role of microRNA-21 in the onset and progression of cancer	37
Deep learning approaches in predicting ADMET properties	37
Drugging all RAS isoforms with one pocket	36
Novel carbonic anhydrase inhibitors	33
TGF-β in renal fibrosis: triumphs and challenges	31
An unexpected discovery toward novel membrane active sulfonyl thiazoles as potential MRSA DNA intercalators	29
Mechanisms of ebselen as a therapeutic and its pharmacology applications	28
NovelN-bridged pyrazole-1-carbothioamides with potential antiproliferative activity: design, synthesis,in vitroandin silicostudies	27
Targeting adhesion in fungal pathogen Candida albicans	27
Multiple ways to kill bacteria via inhibiting novel cell wall or membrane targets	27
Sirtuin modulators: past, present, and future perspectives	26
The role of HGF/MET in liver cancer	26
PROTAC cell permeability and oral bioavailability: a journey into uncharted territory	25
Melatonin synthesis in and uptake by mitochondria: implications for diseased cells with dysfunctional mitochondria	25

Identification of a novel antifungal backbone of naphthalimide thiazoles with synergistic potential for chemical and dynamic treatment	24
Public resources for chemical probes: the journey so far and the road ahead	24
Novel strategies in the war against antibiotic resistance	23
Design of SARS-CoV-2 Mpro, PLpro dual-target inhibitors based on deep reinforcement learning and virtual screening	23
Anti-COVID drugs: repurposing existing drugs or search for new complex entities, strategies and perspectives	23
Bacterial carbonic anhydrases: underexploited antibacterial therapeutic targets	22
New horizons in lung cancer management through ATR/CHK1 pathway modulation	22
The promise and current status of CDK12/13 inhibition for the treatment of cancer	22
Pathway and mechanism of drug binding to chemokine receptors revealed by accelerated molecular simulations	21
Designing HDAC-PROTACs: lessons learned so far	21
Antibacterial pyrazoles: tackling resistant bacteria	21
The maturation of DNA encoded libraries: opportunities for new users	21
Research progress on repositioning drugs and specific therapeutic drugs for SARS-CoV-2	21
Electron density analysis of CDK complexes using the AlteQ method	21
Development of novel anti-infective and antioxidant azole hybrids using a wet and dry approach	20
Urea-functionalized organoselenium compounds as promising anti-HepG2 and apoptosis-inducing agents	19
Kaempferol attenuates the effects of XIST/miR-130a/STAT3 on inflammation and extracellular matrix degradation in osteoarthritis	19
Covalent inhibitors: back on track?	19
Small-molecule PROTACs: novel agents for cancer therapy	19
The world of cell penetrating: the future of medical applications	19
Addressing selectivity issues of aldose reductase 2 inhibitors for the management of diabetic complications	18
Antimicrobial innovation: a current update and perspective on the antibiotic drug development pipeline	18
SGLT2 inhibitors, an accomplished development in field of medicinal chemistry: an extensive review	18
Complementarity principle in terms of electron density for the study of EGFR complexes	18
Indole derivatives (2010–2020) as versatile tubulin inhibitors: synthesis and structure–activity relationships	17
GLUT1 biological function and inhibition: research advances	17
Recent advances in research of colchicine binding site inhibitors and their interaction modes with tubulin	17
Machine learning and deep learning in data-driven decision making of drug discovery and challenges in high-quality data acquisition in the pharmaceutical industry	17
New evidence for tamoxifen as an antischistosomal agent: in vitro, in vivo and target fishing studies	16
Targeting the bacterial SOS response for new antimicrobial agents: drug targets, molecular mechanisms and inhibitors	16
Rutin-loaded liquid crystalline nanoparticles attenuate oxidative stress in bronchial epithelial cells: a PCR validation	16
Combined 3D-quantitative structure–activity relationships and topomer technology-based molecular design of human 4-hydroxyphenylpyruvate dioxygenase inhibitors	16
The powerful symbiosis between synthetic and medicinal chemistry	16
Vesicular drug delivery systems as theranostics in COVID-19	16
N-monosubstituted thiosemicarbazide as novel Ure inhibitors: synthesis, biological evaluation and molecular docking	15
The urgent need for pan-antiviral agents: from multitarget discovery to multiscale design	15
The diverse bioactivity of α-mangostin and its therapeutic implications	15
Structure–activity relationship of natural and synthetic coumarin derivatives against Mycobacterium tuberculosis	15
Synthesis of new ibuprofen hybrid conjugates as potential anti-inflammatory and analgesic agents	15
Incipient need of targeting airway remodeling using advanced drug delivery in chronic respiratory diseases	15
Proteolysis targeting chimeras in antiviral research	15
Medicinal chemistry strategies of targeting HIV-1 capsid protein for antiviral treatment	14
miRNA nanotherapeutics: potential and challenges in respiratory disorders	14
The complex role of EZH2 in the tumor microenvironment: opportunities and challenges for immunotherapy combinations	14
Assays and technologies for developing proteolysis targeting chimera degraders	14
Synthesis and in vitro studies for structure-based design of novel chalcones as antitubercular agents targeting InhA	14
Can natural products stop the SARS-CoV-2 virus? A docking and molecular dynamics study of a natural product database	14
Whole blood or plasma: what is the ideal matrix for pharmacokinetic-driven drug candidate selection?	14
IGF-1C domain-modified chitosan hydrogel accelerates cutaneous wound healing by promoting angiogenesis	13
Developing cyclic peptide-based drug candidates: an overview	13

Research advances in NQO1-responsive prodrugs and nanocarriers for cancer treatment	13
Synthesis and studies of thiazolidinedione–isatin hybrids as α-glucosidase inhibitors for management of diabetes	13
Challenges and opportunities for in vivo PROTAC delivery	13
Small-molecule inhibitors of carboxylesterase Notum	13
Exploring ACSL4/LPCAT3/ALOX15 and SLC7A11/GPX4/NFE2L2 as potential targets in ferroptosis-based cancer therapy	13
Design, synthesis andin vitroantiproliferation activity of some 2-aryl and -heteroaryl benzoxazole derivatives	13
Recent developments of RET protein kinase inhibitors with diverse scaffolds as hinge binders	12
Targeting epigenetic protein–protein interactions with small-molecule inhibitors	12
The story of EGFR: from signaling pathways to a potent anticancer target	12
Cyclin-dependent kinase 7 inhibitors in cancer therapy	11
FAK inhibitors as promising anticancer targets: present and future directions	11
Concepts of advanced therapeutic delivery systems for the management of remodeling and inflammation in airway diseases	11
Recent advances in FLT3 inhibitors for acute myeloid leukemia	11
Advances of biphenyl small-molecule inhibitors targeting PD-1/PD-L1 interaction in cancer immunotherapy	11
An update on the recent advances and discovery of novel tubulin colchicine binding inhibitors	11
Synovial mesenchymal stem cell-derived exosomal miR-320c enhances chondrogenesis by targeting ADAM19	11
The central role of gut microbiota in drug metabolism and personalized medicine	11
Xanthohumol alleviates T2DM-induced liver steatosis and fibrosis by mediating the NRF2/RAGE/NF-κB signaling pathway	11
Steroidal pyrazolines as a promising scaffold in drug discovery	10
Structure–activity relationships of furanones, dihydropyrrolones and thiophenones as potential quorum sensing inhibitors	10
Sulfonamide-salicylaldehyde imines active against methicillin- and trimethoprim/sulfonamide-resistant Staphylococci	10
Breaker peptides against amyloid-β aggregation: a potential therapeutic strategy for Alzheimer’s disease	10
The impact and mechanism of ampakine CX1739 on protection against respiratory depression in rats	10
Recent progress in therapeutic drug delivery systems for treatment of traumatic CNS injuries	10
The potential association between PARP14 and SARS-CoV-2 infection (COVID-19)	10
Sugar-based nanoparticles for respiratory diseases: a new paradigm in the nanoworld	9
Nanomedicine in the treatment of diabetic nephropathy	9
A review of current and promising nontuberculous mycobacteria antibiotics	9
Polyglycerol-based hydrogels and nanogels: from synthesis to applications	9
Discovery of novel and selective CDK4/6 inhibitors by pharmacophore and structure-based virtual screening	9
Discovery and biological characterization of a novel scaffold for potent inhibitors of peripheral serotonin synthesis	9
Selection of SARS-CoV-2 main protease inhibitor using structure-based virtual screening	9
Ligand-based design of anticancer MMP2 inhibitors: a review	9
Rapid structure-based identification of potential SARS-CoV-2 main protease inhibitors	9
Design and synthesis of novel quinic acid derivatives: in vitro cytotoxicity and anticancer effect on glioblastoma	9
Mitochondrial dysfunctions associated with chronic respiratory diseases and their targeted therapies: an update	9
Raloxifene, identified as a novel LSD1 inhibitor, suppresses the migration of renal cell carcinoma	8
Development and implementation of an enterprise-wide predictive model for early absorption, distribution, metabolism and excretion properties	8
Developing polo-like kinase 1 inhibitors	8
Flow chemistry as a tool to access novel chemical space for drug discovery	8
Prevention and treatment of radiation-induced lung injury	8
Achieving effective and selective CK1 inhibitors through structure modification	8
The Zn(S-pr-thiosal)2 complex attenuates murine breast cancer growth by inducing apoptosis and G1/S cell cycle arrest	8
HIV-1 capsid inhibitors: a sword to destroy the virus	8
Curcumin-based nanoformulations as an emerging therapeutic strategy for inflammatory lung diseases	8
Synthesis, antifungal activity and potential mechanism of fusidic acid derivatives possessing amino-terminal groups	8
‘Lights, squaraines, action!’ – the role of squaraine dyes in photodynamic therapy	8
The roles of post-translational modifications and coactivators of STAT6 signaling in tumor growth and progression	8
Antibacterial properties and carbonic anhydrase inhibition profiles of azido sulfonyl carbamate derivatives	8
Identification of known drugs as potential SARS-CoV-2 Mpro inhibitors using ligand- and structure-based virtual screening	8
Evading antimicrobial resistance using boron-containing therapeutics	8
Green synthesis of nonprecious metal-doped copper hydroxide nanoparticles for construction of a dopamine sensor	8
Recent advances in the development of elastase inhibitors	8
Synthesis, biochemical evaluation and molecular modeling studies of nonpeptidic nitrile-based fluorinated compounds	8
New theobromine derivatives inhibiting VEGFR-2: design, synthesis, antiproliferative, docking and molecular dynamics simulations	8
Advances in ‘Trojan horse’ strategies in antibiotic delivery systems	8
Triazole-containing hybrids with anti-Mycobacterium tuberculosispotential – Part I: 1,2,3-Triazole	7
1,8-naphthyridine derivatives: an updated review on recent advancements of their myriad biological activities	7
GANT61 elevates chemosensitivity to cisplatin through regulating the Hedgehog, AMPK and cAMP pathways in ovarian cancer	7
Conjugate of chlorin е6 with iron bis(dicarbollide) nanocluster: synthesis and biological properties	7
Latest advances in specific inhibition of tumor-associated carbonic anhydrases	7
A systematic review of carbohydrate-based bioactive molecules for Alzheimer’s disease	7
Advances in the application of 1,2,4-triazole-containing hybrids as anti-tuberculosis agents	7
Perspectives on the development of first-in-class protein degraders	7
Multitarget therapeutic approaches for Alzheimer's and Parkinson's diseases: an opportunity or an illusion?	7
New 1,3,4-thiadiazoles derivatives: synthesis, antiproliferative activity, molecular docking and molecular dynamics	7
Machine learning-based QSAR models to predict sodium ion channel (Nav 1.5) blockers	7
Synthesis, antiviral activity, preliminary pharmacokinetics and structural parameters of thiazolide amine salts	7
Recent approaches to mRNA vaccine delivery by lipid-based vectors prepared by continuous-flow microfluidic devices	7
Malaria transmission-blocking drugs: implications and future perspectives	7
Human sirtuin 2 inhibitors, their mechanisms and binding modes	7
Advanced drug delivery systems targeting NF-κB in respiratory diseases	7
Peptide library screening as a tool to derive potent therapeutics: current approaches and future strategies	6
Extracellular vesicles for targeted drug delivery: triumphs and challenges	6
Synthesis and activity of BNF15 against drug-resistant Mycobacterium tuberculosis	6
A short overview of resistance to approved histone deacetylase inhibitors	6
Advances in research with rutin-loaded nanoformulations in mitigating lung diseases	6
Structure modification: a successful tool for prodrug design	6
Synthesis and biological studies of c(RGDyK) conjugates of cucurbitacins	6
Marine sponge-derived/inspired drugs and their applications in drug delivery systems	6

Recent developments in PARP14 research	6
Understanding the oncostatic actions displayed by melatonin in colorectal cancer therapy	6
Recent advances in oxazolidinones as antituberculosis agents	6
High ELK3 expression is associated with the VEGF-C/VEGFR-3 axis and gastric tumorigenesis and enhances infiltration of M2 macrophages	6
Bacterial FtsZ inhibition by benzo[d]imidazole-2-carboxamide derivative with anti-TB activity	6
Medicinal applications of coumarins bearing azetidinone and thiazolidinone moieties	6
TSPYL2 reduced gefitinib resistance and DNA damage repair via suppressing SIRT1-mediated FOXO3 deacetylation	6
Proteolysis-targeting chimeras mediate the degradation of bromodomain and extra-terminal domain proteins	6
Abiotic scaffolds in medicinal chemistry: not a waste of chemical space	6
COVID-19 screening in a healthcare or community setting: complexity of saliva as a specimen for PCR-based testing	6
Novel trypanocidal thiophen-chalcone cruzain inhibitors: structure- and ligand-based studies	6
In silico approaches using pharmacophore model combined with molecular docking for discovery of novel ULK1 inhibitors	6
Synthesis of some tropane-based compounds targeting colon cancer	6
Design and identification of two novel resveratrol derivatives as potential LSD1 inhibitors	6
Neurochemical regulators of food behavior for pharmacological treatment of obesity: current status and future prospects	6
Antimicrobial peptides: triumphs and challenges	6
Design and synthesis of novel uracil-linked Schiff bases as dual histone deacetylase type II/topoisomerase type I inhibitors with apoptotic potential	6
E3 ligases: a potential multi-drug target for different types of cancers and neurological disorders	6
Synthesis and evaluation of potent human immunodeficiency virus 1 protease inhibitors with epimeric isopropanol as novel P1′ ligands	6
Novel pyrazoles as potent growth inhibitors of staphylococci, enterococci and Acinetobacter baumannii bacteria	6