Future Medicinal Chemistry

Article	Citations
An overview of drug discovery and development	114
Ligand and structure-based virtual screening applied to the SARS-CoV-2 main protease: an in silico repurposing study	66
10 years into the resurgence of covalent drugs	65
Utilizing the CF2H moiety as a H-bond-donating group in drug discovery	58
De novodesign of new chemical entities for SARS-CoV-2 using artificial intelligence	53
N-heterocyclic carbene-metal complexes as bio-organometallic antimicrobial and anticancer drugs, an update (2015–2020)	49
Evidence supporting the use of peptides and peptidomimetics as potential SARS-CoV-2 (COVID-19) therapeutics	47
Antiproliferative effects of boswellic acid-loaded chitosan nanoparticles on human lung cancer cell line A549	46
Computational repurposing of benzimidazole anthelmintic drugs as potential colchicine binding site inhibitors	46
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	37
Deep learning approaches in predicting ADMET properties	35
Drugging all RAS isoforms with one pocket	34
HeroMDAnalysis: an automagical tool for GROMACS-based molecular dynamics simulation analysis	33
New chalcone-type compounds and 2-pyrazoline derivatives: synthesis and caspase-dependent anticancer activity	32
Structural and functional regulation of lactate dehydrogenase-A in cancer	32
TGF-β in renal fibrosis: triumphs and challenges	31
Novel carbonic anhydrase inhibitors	31
The role of microRNA-21 in the onset and progression of cancer	31
An unexpected discovery toward novel membrane active sulfonyl thiazoles as potential MRSA DNA intercalators	29
Targeting adhesion in fungal pathogen Candida albicans	27
NovelN-bridged pyrazole-1-carbothioamides with potential antiproliferative activity: design, synthesis,in vitroandin silicostudies	26
Multiple ways to kill bacteria via inhibiting novel cell wall or membrane targets	26
Mechanisms of ebselen as a therapeutic and its pharmacology applications	26
Recent development in acetyl-CoA carboxylase inhibitors and their potential as novel drugs	25

Sirtuin modulators: past, present, and future perspectives	24
Identification of a novel antifungal backbone of naphthalimide thiazoles with synergistic potential for chemical and dynamic treatment	23
Public resources for chemical probes: the journey so far and the road ahead	23
Design of SARS-CoV-2 Mpro, PLpro dual-target inhibitors based on deep reinforcement learning and virtual screening	23
PROTAC cell permeability and oral bioavailability: a journey into uncharted territory	23
Melatonin synthesis in and uptake by mitochondria: implications for diseased cells with dysfunctional mitochondria	22
The promise and current status of CDK12/13 inhibition for the treatment of cancer	22
Novel anthraquinone compounds as anticancer agents and their potential mechanism	21
The role of HGF/MET in liver cancer	21
The maturation of DNA encoded libraries: opportunities for new users	21
Anti-COVID drugs: repurposing existing drugs or search for new complex entities, strategies and perspectives	21
Novel strategies in the war against antibiotic resistance	21
Bacterial carbonic anhydrases: underexploited antibacterial therapeutic targets	21
Research progress on repositioning drugs and specific therapeutic drugs for SARS-CoV-2	21
Inhibitors of antibiotic resistance mechanisms: clinical applications and future perspectives	21
Inhibiting DosRST as a new approach to tuberculosis therapy	21
Development of novel anti-infective and antioxidant azole hybrids using a wet and dry approach	20
Designing HDAC-PROTACs: lessons learned so far	20
The world of cell penetrating: the future of medical applications	19
Kaempferol attenuates the effects of XIST/miR-130a/STAT3 on inflammation and extracellular matrix degradation in osteoarthritis	19
Electron density analysis of CDK complexes using the AlteQ method	19
Antibacterial pyrazoles: tackling resistant bacteria	19
SGLT2 inhibitors, an accomplished development in field of medicinal chemistry: an extensive review	18
Covalent inhibitors: back on track?	18
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	17
Pathway and mechanism of drug binding to chemokine receptors revealed by accelerated molecular simulations	17
Small-molecule PROTACs: novel agents for cancer therapy	17
Urea-functionalized organoselenium compounds as promising anti-HepG2 and apoptosis-inducing agents	17
Recent advances in research of colchicine binding site inhibitors and their interaction modes with tubulin	16
GLUT1 biological function and inhibition: research advances	16
Rutin-loaded liquid crystalline nanoparticles attenuate oxidative stress in bronchial epithelial cells: a PCR validation	16
Complementarity principle in terms of electron density for the study of EGFR complexes	16
The powerful symbiosis between synthetic and medicinal chemistry	16
Vesicular drug delivery systems as theranostics in COVID-19	16
Targeting the bacterial SOS response for new antimicrobial agents: drug targets, molecular mechanisms and inhibitors	16
Radiolabeling of [11C]FPS-ZM1, a receptor for advanced glycation end products-targeting positron emission tomography radiotracer, using a [11C]CO2-to-[11C]C	15
Incipient need of targeting airway remodeling using advanced drug delivery in chronic respiratory diseases	15
Green synthesis of bioactive oligopeptides promoted by recyclable nanocrystalline hydroxyapatite	15
Combined 3D-quantitative structure–activity relationships and topomer technology-based molecular design of human 4-hydroxyphenylpyruvate dioxygenase inhibitors	15
The diverse bioactivity of α-mangostin and its therapeutic implications	15
New evidence for tamoxifen as an antischistosomal agent: in vitro, in vivo and target fishing studies	15
Indole derivatives (2010–2020) as versatile tubulin inhibitors: synthesis and structure–activity relationships	15
N-monosubstituted thiosemicarbazide as novel Ure inhibitors: synthesis, biological evaluation and molecular docking	15
Structure–activity relationship of natural and synthetic coumarin derivatives against Mycobacterium tuberculosis	15
Assays and technologies for developing proteolysis targeting chimera degraders	14
The growing evidence for targeting P-glycoprotein in lysosomes to overcome resistance	14
Synthesis and in vitro studies for structure-based design of novel chalcones as antitubercular agents targeting InhA	14
The complex role of EZH2 in the tumor microenvironment: opportunities and challenges for immunotherapy combinations	14
Proteolysis targeting chimeras in antiviral research	14

miRNA nanotherapeutics: potential and challenges in respiratory disorders	14
New horizons in lung cancer management through ATR/CHK1 pathway modulation	14
Medicinal chemistry strategies of targeting HIV-1 capsid protein for antiviral treatment	14
Machine learning and deep learning in data-driven decision making of drug discovery and challenges in high-quality data acquisition in the pharmaceutical industry	14
Can natural products stop the SARS-CoV-2 virus? A docking and molecular dynamics study of a natural product database	14
Synthesis of new ibuprofen hybrid conjugates as potential anti-inflammatory and analgesic agents	14
Phenanthridine derivatives as promising new anticancer agents: synthesis, biological evaluation and binding studies	13
Developing cyclic peptide-based drug candidates: an overview	13
Small-molecule inhibitors of carboxylesterase Notum	13
The urgent need for pan-antiviral agents: from multitarget discovery to multiscale design	13
Proton-sensing G protein-coupled receptors: detectors of tumor acidosis and candidate drug targets	13
Synthesis and biological evaluation of thiophene-based hydroxamate derivatives as HDACis with antitumor activities	13
Challenges and opportunities for in vivo PROTAC delivery	13
Research advances in NQO1-responsive prodrugs and nanocarriers for cancer treatment	13
IGF-1C domain-modified chitosan hydrogel accelerates cutaneous wound healing by promoting angiogenesis	12
Whole blood or plasma: what is the ideal matrix for pharmacokinetic-driven drug candidate selection?	12
Synthesis and studies of thiazolidinedione–isatin hybrids as α-glucosidase inhibitors for management of diabetes	12
Targeting epigenetic protein–protein interactions with small-molecule inhibitors	12
Recent developments of RET protein kinase inhibitors with diverse scaffolds as hinge binders	12
Synthesis and biological evaluation of novel pyrimidine-5-carbonitriles featuring morpholine moiety as antitumor agents	11
The story of EGFR: from signaling pathways to a potent anticancer target	11
Cyclin-dependent kinase 7 inhibitors in cancer therapy	11
Design, synthesis andin vitroantiproliferation activity of some 2-aryl and -heteroaryl benzoxazole derivatives	11
Neuroprotective functions of calycosin against intracerebral hemorrhage-induced oxidative stress and neuroinflammation	11
The central role of gut microbiota in drug metabolism and personalized medicine	11
The potential association between PARP14 and SARS-CoV-2 infection (COVID-19)	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 advances in experimental animal models of lung cancer	10
Steroidal pyrazolines as a promising scaffold in drug discovery	10
Structure–activity relationships of furanones, dihydropyrrolones and thiophenones as potential quorum sensing inhibitors	10
Synovial mesenchymal stem cell-derived exosomal miR-320c enhances chondrogenesis by targeting ADAM19	10
Recent advances in FLT3 inhibitors for acute myeloid leukemia	10
Recent progress in therapeutic drug delivery systems for treatment of traumatic CNS injuries	10
Exploring ACSL4/LPCAT3/ALOX15 and SLC7A11/GPX4/NFE2L2 as potential targets in ferroptosis-based cancer therapy	10
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
1,2,3-Triazole tethered 2-mercaptobenzimidazole derivatives: design, synthesis and molecular assessment toward C6 glioma cell line	9
FAK inhibitors as promising anticancer targets: present and future directions	9
Navigating the intricacies of molecular docking	9
Rapid structure-based identification of potential SARS-CoV-2 main protease inhibitors	9
Nanomedicine in the treatment of diabetic nephropathy	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
An update on the recent advances and discovery of novel tubulin colchicine binding inhibitors	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
Revisiting the use of biological fluids for noninvasive glucose detection	9
Sugar-based nanoparticles for respiratory diseases: a new paradigm in the nanoworld	8
Antibacterial properties and carbonic anhydrase inhibition profiles of azido sulfonyl carbamate derivatives	8
Raloxifene, identified as a novel LSD1 inhibitor, suppresses the migration of renal cell carcinoma	8
Synthesis, antifungal activity and potential mechanism of fusidic acid derivatives possessing amino-terminal groups	8
Synthesis, biochemical evaluation and molecular modeling studies of nonpeptidic nitrile-based fluorinated compounds	8
Ligand-based design of anticancer MMP2 inhibitors: a review	8
Concepts of advanced therapeutic delivery systems for the management of remodeling and inflammation in airway diseases	8
HIV-1 capsid inhibitors: a sword to destroy the virus	8
Green synthesis of nonprecious metal-doped copper hydroxide nanoparticles for construction of a dopamine sensor	8
Developing polo-like kinase 1 inhibitors	8
Xanthohumol alleviates T2DM-induced liver steatosis and fibrosis by mediating the NRF2/RAGE/NF-κB signaling pathway	8
Achieving effective and selective CK1 inhibitors through structure modification	8
Advances in ‘Trojan horse’ strategies in antibiotic delivery systems	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
Sulfonamide-salicylaldehyde imines active against methicillin- and trimethoprim/sulfonamide-resistant Staphylococci	8
Advances of biphenyl small-molecule inhibitors targeting PD-1/PD-L1 interaction in cancer immunotherapy	8
Triazole-containing hybrids with anti-Mycobacterium tuberculosispotential – Part I: 1,2,3-Triazole	7
Recent approaches to mRNA vaccine delivery by lipid-based vectors prepared by continuous-flow microfluidic devices	7
Perspectives on the development of first-in-class protein degraders	7
Conjugate of chlorin е6 with iron bis(dicarbollide) nanocluster: synthesis and biological properties	7
Curcumin-based nanoformulations as an emerging therapeutic strategy for inflammatory lung diseases	7
Recent advances in the development of elastase inhibitors	7
A systematic review of carbohydrate-based bioactive molecules for Alzheimer’s disease	7
Prevention and treatment of radiation-induced lung injury	7
Advances in the application of 1,2,4-triazole-containing hybrids as anti-tuberculosis agents	7
1,8-naphthyridine derivatives: an updated review on recent advancements of their myriad biological activities	7
The Zn(S-pr-thiosal)2 complex attenuates murine breast cancer growth by inducing apoptosis and G1/S cell cycle arrest	7
Human sirtuin 2 inhibitors, their mechanisms and binding modes	7
Machine learning-based QSAR models to predict sodium ion channel (Nav 1.5) blockers	7
A perspective on targeting inflammation and cytokine actions in atherosclerosis	7
The roles of post-translational modifications and coactivators of STAT6 signaling in tumor growth and progression	7

Synthesis, antiviral activity, preliminary pharmacokinetics and structural parameters of thiazolide amine salts	7
Multitarget therapeutic approaches for Alzheimer's and Parkinson's diseases: an opportunity or an illusion?	7
Malaria transmission-blocking drugs: implications and future perspectives	7
Development and implementation of an enterprise-wide predictive model for early absorption, distribution, metabolism and excretion properties	7
Flow chemistry as a tool to access novel chemical space for drug discovery	7
A review of current and promising nontuberculous mycobacteria antibiotics	7