Letters in Drug Design & Discovery

Article	Citations
Repurposing Novel Antagonists for Targeting p7 Viroporin of HCV Using In Silico Approach	201
Ligand-based Pharmacophore Modeling, Molecular Docking and Simulation Studies for the Exploration of Natural Potent Antiangiogenic Inhibitors Targeting Heat Shock Protein 90	92
Innovative approaches in insulin delivery: Exploring molecular techniques and system developments	45
Synthesis and Anticancer Activity of Oral Pt(IV) Prodrugs Containing α-furancarboxylate as an Axial Ligand	43
Regulation of Exosomes-Mediated circNR4A1 on Chemoresistance and Biological Effects of Oral Squamous Cell Carcinoma Cells	35
Design, Synthesis and In Vitro Anticancer Activity of Benzo[c]chromen-6- one-linked 1,2,3-Triazole	35
Recent Developments, Challenges and Opportunities in Targeting the KRAS Pathway	29
Synthesis, Molecular Docking Studies, and In vitro Anticancer Evaluation of Novel Tolfenamic Acid Derivatives	28
Synthesis, Characterization, and Evaluation of Sulfonium Lipids as Potential Nonviral Gene Vectors	26
Plant Secondary Metabolites as Apoptosis-inducing Agents	26
Computational Insights on Migraine and Anxiety in Association with BDNF	25
Screening and Structure-Activity Relationship of Potential Compounds against Proposed Targets of COVID-19 Infection	20
Positive Expression of Paired Box 5 (Pax5) was Associated with Age, Tumor Location, and Tumor Size of Patients with Gastrointestinal Neuroendocrine Tumors (NETs)	19
Computational Study of Lactucine and its Derivatives to Investigate its Anti-cancerous Properties Targeting Apoptosis-inducing Protein	18
From prediction to design: A machine learning model for de novo bioactive compounds and personalized biotherapeutics	18
Mechanistic Investigation of Glycyrrhiza uralensis Effects against Respiratory Ailments: Application of Network Pharmacology and Molecular Docking Approaches	18
From stem cells to therapeutics: Advancing islet function restoration through mesenchymal stem cell-based drug research	16
An in-silico design of a novel ursodeoxycholic acid analogue for helminthiasis therapy	16
Molecular docking, DFT calculations, and molecular dynamics simulations in the computational investigation of hydrazone derivative potential as a COVID-19 receptor inhibitor	16
Molecular Docking, Molecular Dynamics Simulation, and Analysis of EGFR-derived Peptides against the EGF	15
A Review on Synthesis and Biological Potential of Dihydropyridines	15
Exploring Novel PLK1 Inhibitors based on Computational Studies of 2,4-Diarylaminopyrimidine Derivatives	14
Anti-cancerous Properties of the Synthesized Substituted Chromene Compounds and their Pharmacological Activities	14
Piperazine-based Semicarbazone Derivatives as Potent Urease Inhibitors: Design, Synthesis, and Bioactivity Screening	14
Synergy Potential of Ursolic Acid-Based Hybrid Molecules	13

Synthesis and Antimicrobial Activity of Functional Derivatives of thiazolo[ 2,3-c][1,2,4]triazoles	13
Preparation of Levothyroxine Transdermal Gels and Preliminary Pharmacokinetic Study in Hypothyroidism Rat Model	13
Potent Small Molecules Inhibitors Discovery through Ligand-based Modelling for Effective Treatment of Parkinson’s Disease	13
The Role of Aquatic Plants in Natural Products and Drug Discovery	12
Study on the Mechanism of Sanqi in the Treatment of Disseminated Intravascular Coagulation-Based on Network Pharmacology and Molecular Docking Technology	12
Antimicrobial Activity of Halogen- and Chalcogen-Functionalized Thiazoloquinazolines	12
Synthetic PARP-1 Inhibitors Reported During the Last Decade	12
Unifying Theory and Experiments: Multi-Target Pharmacology of Dajihan Pill Against Hyperlipidemia	12
Restraint of Starch-hydrolyzing Enzyme in the Management of Postprandial Blood Glucose Level: An Alternative Approach	12
Ligand-based Molecular Modeling of HDL Receptor SR-BI Inhibitors as Potent Anti-hyperlipidemic Agents	12
Evaluation of the Impact of Pistacia atlantica Desf. Oleo-gum Resin on Complete Freund’s Adjuvant-induced Arthritis in a Wistar Rat Model	12
Evolutionary History of Oncogenes and Tumor Suppressor Genes Families: The Ancestral Origin in Mammals and Duplication Patterns	11
Modified Release of Acetaminophen from Matrix Tablet Formulations: Influence of Tablet Geometry	11
Anti-colorectal Cancer Activity of Quinazoline Derivatives: A Comprehensive Review	10
A Network Pharmacology Guided Mechanism of Action Study on Oldenlandia diffusa Against Osteosarcoma	10
Effect and safety of modified-release insulin-loaded liposome prototypes on glycemia in experimental models of type 1 diabetes mellitus	10
The Essential Role of Herbal-based Therapies in Combatting Acne Vulgaris	9
HS3ST2, regulated by METTL14 through m6A mechanisms, contributes to M1 macrophage polarization in chronic obstructive pulmonary disease	9
QSAR of SARS-CoV-2 Main Protease Inhibitors Utilizing Theoretical Molecular Descriptors	9
Discovery of PDK1 protein-protein interaction site modulators by deep learning and MD Simulations	9
Triptolide and quercetin coordinately regulate the network pharmacology mechanism of renal cancer	9
The search for the holy grail: In silico design and analysis of a non-sedative third generation, cetirizine-derived H1R anti-histamine with reduced hERG toxicity	9
The effect of serotonergic receptors (5HT3) on seizure threshold and mitochondrial damage induced by amitriptyline in the mouse brain	9
Phytochemical Characterization and Screening of the Anti-Pneumonia (Anti-COVID-19, Anti-Fungal, and Anti-Bacterial) Activities of Cuscuta Campestris Extract	9
Implementation of PLGA-based Nanoparticles for Treatment of Colorectal Cancer	9
Network pharmacology-guided and molecular dynamics-validated insights into rubia phytocompounds as potential therapeutics for pneumonia	8
Exploring Nature’s Treasure for Drug Discovery	8
Design of VEGFR2 Inhibitors: Construction and Screening of Virtual Compound Libraries	8
Saponins-uptake and Targeting Issues for Brain-specific Delivery for Enhanced Cell Death Induction in Glioblastoma	8
Advances in Isatin-derived Compounds for Modern Cancer Therapy: A Comprehensive Review	8
Matrine inhibits the malignant behaviors of nasopharyngeal cancer cells by directly targeting CTSL	8
The Newly Proposed Mechanism of Cardiomyocyte Protection of Carvedilol- Anti-Apoptosis Pattern of Carvedilol in Anoxia by Inducing Autophagy Partly through the AMPK/mTOR Pathway	8
WITHDRAWN: Synthesis and Anticancer Activity of Newly Substituted 1,3,4-thiadiazole Derivatives: A Novel Class of Anticancer Agents	8
Antimicrobial Activities of Substituted 4-N-alkylated-2-trifluoromethylquinoline Analogs Against Nontuberculous Mycobacteria	8
Anti-Tumor Activity of Indole: A Review	8
Synthesis and Studies of Anticancer and Antimicrobial Activity of New Phenylurenyl Chalcone Derivatives	8
Insight View on the Pharmacological Potential and Bio-active Components of Ginger	8
Analysis of Ultrasound Supported Antimicrobial and Antibiofilm Activities of Disinfection By-product Bromochloroacetonitrile	8
Exploring the Potential of Avenanthramides and their Analogues as α-Glucosidase Inhibitors for Type 2 Diabetes Treatment Utilizing Virtual Screening, Molecular Dynamics, and Drug-likeness Predictions	7
Synthesis and Pharmacological Activity of 4', 4''- bit Modified Curcumin Derivatives	7
Elucidating the mechanism of ferulic acid in treating ischemic stroke based on network pharmacology and multi-omics analysis	7
Formulation Development and Assessment of Solid Dispersion and Hydrotropy for BCS Class II Drug Solubility Enhancement	7
Computational design and screening of novel dipeptide analogues as potent antileprotic agents against alanine racemase and ligase	7
Synergistic anticancer effects of Dracaena cinnabari and Aloe perryi extracts on colorectal cancer cells: A flow cytometry analysis of toxicity, cell cycle, apoptosis, and autophagy	7
Molecular Docking: Principles, Advances, and Its Applications in Drug Discovery	7
Association of SARS-CoV-2 Infection and Triple Negative Breast Cancer (TNBC) A Computational Illustrative Study	7
The Effects of Trigonella Foenum-graecum L. on Post-surgical Adhesion Band Formation	7
Docking Study on Caspase 3 Inhibitors As Potential Drugs For Traumatic Brain Cell Apoptosis	7
Advanced Oral Drug Delivery Systems for Combating and Preventing Paediatric Periodontal Disease	7
Network pharmacology combined with pharmacology to explore the mechanism of Zengye Runzao Decoction in treating Sjögren's Syndrome	7

Recent Advances in Drug Design and Delivery Across Biological Barriers Using Computational Models	7
Exploring the mechanism of Squamocin inhibits oral squamous cell carcinoma malignant progression by targeting peroxisome proliferator activated receptor-gamma based on network pharmacology and molecul	7
Design, Synthesis, and In vitro Biological Activities of Matrine Skeleton Derivatives as Potential Cancer Inhibitors	7
A Scoping Review on Recent Progress on Purpurin and its Derivatives	7
Cardiovascular drug use and Alzheimer’s disease: A systematic review of clinical evidence	7
A Comprehensive Review of the Advancement in Omic Technologies in the Field of Drug Discovery and Development	7
Bioinformatic Screening of Compounds from Iranian Lamiaceae Family Members against SARS-CoV-2 Spike Protein	6
Physically Crosslinked Polymeric Network for Controlled and Mucoadhesive Release of Miconazole for Topical Ocular Delivery	6
Neuroprotective and Nootropic Evaluation of some Important Medicinal Plants in Dementia: A Review	6
Identifying TMPRSS2 Inhibitors by Drug Repurposing Screenings of Known fXIa Inhibitors: A Computational Study	6
Graviola Protects Against Hepatic Toxicity Associated with DMBA induced Breast Cancer via Restoration of Antioxidants and Attenuation of Inflammatory Pathways	6
WITHDRAWN: Iodinated Curcumin as a Novel Anti-bacterial Agent to Combat Methicillin-resistant Staphylococcus aureus in Bovine Mastitis: In Silico Analysis, Synthesis and In Vitro Evaluation	6
The Inhibitory Effect and Mechanism of Action of Myricaria germanica Essential Oils on Skin Inflammation based on Network Pharmacology and Molecular Docking	6
Nitrogen-containing Heterocyclic Derivatives of 1,3-Thiazolidine-2,4- Diones as Dual Anti-inflammatory and Anti-oxidant Agents and their Docking Studies	6
Discovery of Natural Compounds as SARS-CoV-2’s Main Protease Inhibitors by Docking-based Virtual Screening	6
Design, Synthesis, and Assay of New N-acyl-4-(4-aminoalkoxy- phenyl)- thiazole-2-amine Derivatives as Acetylcholinesterase Inhibitors	6
Up-to-date Combinational Polymeric Approaches for the Enhancement of Drug Absorption and Membrane Transductivity	6
Design, Synthesis, and In vitro Anticancer Activity of Novel Chrysin Derivatives	6
Mitigation of cyclophosphamide-induced hepatoxicity by Allium ampeloprasum Subsp Iranicum: A potential protective agent in chemotherapy	6
WITHDRAWN: The Radix Achyranthes Bidentata Regulates BMSCsderived Chondrogenic Differentiation by Modulating Rab39a and Activating SOX9 and RHOA/RACK1 Signaling	6
Angiotensin-Converting Enzyme Inhibition Properties and Antioxidant Effects of Plants and their Bioactive Compounds as Cardioprotective Agent	6
Whole-cell Lipase Catalytic Synthesis of Short-chain Fragrance Esters using Aspergillus flavus	6
Identification of active compounds and therapeutic mechanisms of traditional Chinese medicine for periarthritis of shoulder for promoting blood circulation and removing stasis (PBRS): A network pharma	6
In vitro Cholinesterase Inhibitory Activities of Piper betle Stem and their Correlation with In silico Docking Studies of its Phytoconstituents	6
Potential of Surface Functionalized Nanomaterials in Innovative Drug Development: A Mini-review	5
Mechanism of Trigonella Foenum-graecum L. against Type 2 Diabetes Mellitus: Research on Network Pharmacology & Experimental Verification	5
Network pharmacology, molecular docking, and experimental validation of dihydromyricetin attenuating LPS-induced acute lung injury by promoting FGFR1	5
Essential Structural Profile of Novel Adenosine Derivatives as Antiplatelet Aggregation Inhibitors based on 3D-QSAR Analysis	5
Synthesis and biological evaluation of thiobarbituric acid derivatives as antioxidant and cytotoxic agents	5
QSAR Analysis and Molecular Docking Studies of Aryl Sulfonamide Derivatives as Mcl-1 Inhibitors and the Influence of Structure and Chirality on the Inhibitory Activity	5
Design and Prediction of ADME/Tox Properties of Novel Magnolol Derivatives as Anticancer Agents for NSCLC Using 3D-QSAR, Molecular Docking, MOLCAD and MM-GBSA Studies	5
“Thiophene”: A Sulphur Containing Heterocycle as a Privileged Scaffold	5
Exploring DPP-IV inhibitors for diabetes treatment: A comprehensive study on molecular docking, molecular dynamics simulation, and in-vitro DPP-IV assay	5
Novel 1,3,4-trisubstituted Pyrazolopyrimidine Derivatives Show Potent Antiproliferative Activity in Mantle Cell Lymphoma	5
Naphthoquinone-triazole hybrids as anti-diabetic agents: An exploration of in silico and in vitro α-glucosidase and α-amylase inhibition	5
Synthesis and Biological Evaluation of Hydroxypropyl Ester of Mefenamic Acid as a Promising Prodrug	5
Molecular Modeling of some 1,3,4-Oxadiazole Derivatives as EGFR Inhibitors for the Treatment of Cancer	5
Development and evaluation of optimized molecularly imprinted polymer (MIP) for targeted drug delivery of 5-Fluorouracil	5
The Contribution of the Rat Mesenteric Vascular Bed Model to Phytopharmacology with Computational Studies of the Main Vasorelaxant Phytochemicals	5
Identification of natural product-based S6K1 inhibitor by high-throughput virtual screening	5
Indolizines in focus: Synthetic approaches, biological profiles, and SAR perspectives, a review	5
Baicalein Promotes Acute Myeloid Leukemia Cell Autophagy via miR-424 and the PTEN/PI3K/AKT/mTOR Pathway	5
Development and characterization of suppository formulation for rectal delivery of clarithromycin	5
KBH4 assisted synthesis of ultra-large mesoporous silica nanosystem encapsulating paclitaxel and glucose oxidase for starvation/chemo-therapy	5
Acknowledgements to Reviewers	5
Discovery of MAO-A Inhibitors as Antidepressant Based on Virtual Screening	5
Nanotechnology-Based Approaches for Nose-to-Brain Drug Delivery in Neurodegenerative Diseases	5
Efficacy and safety of PD-1/PD-L1 inhibitors for relapsed/metastatic nasopharyngeal carcinoma: A systematic review and meta-analysis	5
Molecular Docking, Acute Toxicity and Antibacterial Study of Debilon and Phorbasterone-B Extracted from Rhodophyta	5
Design, Synthesis, and Insecticidal Evaluation of New Benzoylureas Containing Carbamate Groups Based on the Bipartite Model of Sulfonylurea Receptor Binding Site	5
Emerging DNA- and RNA-based therapeutic strategies in hepatocellular carcinoma: A molecular approach to precision medicine	5
Molecular Docking of the Terpenes in Gorgonian Corals to COX-2 and iNOS Enzymes as Anti-Inflammatory	5
Exposure of Bisphenol S on splenic injury causing inflammation in Wistar rat by histological analysis	5
A Review on Biological Activity of Quinoline-based Hybrids	5
Rings in “Lead-like Drugs”	5
Exploring Novel Benzopyran Derivatives as Antitubercular Agents	5
The Therapeutic Potential of Metformin for Attenuating Postsurgical Adhesion Band Formation	5
GelMA@DFO hydrogel promotes bone regeneration via HIF-1α-mediated angiogenesis	4
Role of a Dual Inhibitor of RAS/PI3K/AKT and RAS/RAF/MEK on Post-surgical Adhesion Band Formation	4
Natural Antioxidants of the Underutilized and Neglected Plant Species of Asia and South America	4
Based on the Network Pharmacology to Analyze the Effect of Chuanxiong in Improving Diabetic Nephropathy	4
Multi-modal investigation of doxorubicin-induced osteoporosis: Network toxicology, machine learning, and imaging techniques	4
Preparation of Metformin Biodegradable Polymeric Microparticles by O/O Emulsion Solvent Evaporation: A 32 Full Factorial Design Approach	4
Towards Further Understanding the Role of Curcumin in Wound Healing: A Systems Biology Approach	4
Virtual Screening, Molecular Docking, and Physiochemical Analysis of Novel 1,3-diphenyl-2-propene-1-one as Dual COX-2/5-LOX Inhibitors	4
Rational Design and Synthesis of Novel Benzimidazole Derivatives as Potential β-Glucosidase Inhibitors	4
An Ultrasound-assisted Three Component Protocol for the Regio and Stereo-selective Synthesis of Some Novel Dispiroheterocycles and Their Biological Evaluation as Anti-inflammatory, Anti-obesity Agents	4
Integrated m⁶A and transcriptome analysis in a smoking-induced lung injury model reveals key methylated genes and computationally predicts potential therapeutic candidates	4
Molecular Docking, Dynamics Simulation, and Physicochemical Analysis of Some Phytochemicals as Antiplatelet Agents	4
One-Pot Green Synthesis of Novel Thiazolepyridine Conjugated Benzamides as Anti-Bacterial Agents and their Molecular Modelling Studies	4
Network Pharmacological Study of the Active Ingredient of Panax Notoginseng Saponins for the Treatment of Lung Cancer by Inhibiting AKR1C3	4
Recent Advances in Therapeutic Strategies against Hydatid Cysts using Nanomaterials: A Systematic Review	4
An appraisal on biomolecular imaging in diagnosis of neurological disorders and innovation in clinical research	4
Thymoquinone suppresses cell growth and induces ferroptosis in renal cell carcinoma by reducing SERPINH1 expression	4
Investigating the mechanism of curcumin against LUAD malignant progression and macrophage M2 polarization based on network pharmacology, bioinformatics, and molecular docking	4
Exploring the antimicrobial and biofilm inhibitory potential of Citrus limetta peel essential oil against multidrug-resistant Shigella: In vitro and in silico insights	4
Novel 2-pyridone Analogs with Anti-cancer Activity: Synthesis, In silico, and In vitro Evaluation	4
Phytosome: An Effective Transdermal Drug Delivery System for Phytoconstituents	4
Polygenic Regulation by Flos Daturae in the Treatment of Breast Cancer: A Study based on Network Pharmacology and Bioinformatics	4
In silico De Novo Discovery of Novel Target-specific Drug-like Bidentate Inhibitors of PTP 1B	4

Demonstration of Interaction between Carbapenem Group Antibiotics and Different Immunosuppressant Drugs by Molecular Docking	4
A Novel Drug Delivery Platform Against Bacterial Resistance: Synthesis and Characterization of Ciprofloxacin-loaded MCM-41 Mesoporous Silica Nanoparticle	4
Synthesis, Computational Study, and Anticonvulsant Activity of Newly Synthesized 2-aminobenzothiazole Derivatives	4
Ethosomes: Novel Vesicular Carriers for Effective Transdermal Delivery of Natural Therapeutics	4
Synthesis and Biological Activity of 2-pyridone Derivatives: A Mini Review	4
Bdellovibrio bacteriovorus Therapy, an Emerging Alternative to Antibiotics	4
Integrating single-cell sequencing and network pharmacology to reveal the mechanisms of matrine against ulcerative colitis	4
Garcinol: An emerging epigenetic modifier with versatile anticancer properties	4
Conjugation of Mycophenolic Acid with Dextran: A Potential Strategy for Colon-Targeted Delivery for Mitigation of Inflamed Colon in Ulcerative Colitis	4
Lycopene-Loaded Solid Lipid Nanoparticles: Preparation, Characterization, ROS-Scavenging, and In vitro Anti-Melanogenesis Evaluations	4
Quantum Mechanics Modeling of Oxetanes as Epoxide Hydrolase Substrates	4
Exploration of the mechanism of quercetin against GDM based on network pharmacology and molecular docking	4
A comprehensive in-silico approach (pharmacophoric QSAR and docking-based comparative intermolecular analysis) led to identifying new PIM2 kinase inhibitors for treating resistant lymphomas	4
The Importance of Salicylic Acid, Humic Acid and Fulvic Acid on Crop Production	4
Virtual Screening of Telaprevir and Danoprevir Derivatives for Hepatitis C Virus NS3/4A Protease Inhibitors	4
Palladium (II)-N-heterocyclic Carbene Complexes: Synthesis, Molecular Docking, UV-Vis Absorption and Enzyme Inhibition	4
Imperatorin remits malignant progression of endometrial cancer by silencing E2F1/SLC3A2	3
The Hepatoprotective Effect of a Newly Synthesized 5-mercapto-1,2,4-triazole Derivative based on Nalidixic Acid against CCl4 induced Oxidative Stress in Mice	3
Mesalamine may be a Plausible Therapeutic Agent for the Management of Diabetic Wounds: A Computational Approach	3
Exploring the mechanism of action of tolvaptan in the treatment of cor pulmonale pulmonary hypertension using network pharmacology and animal-based experiments	3
Emerging Heterocyclic Epidermal Growth Factor Receptor Inhibitors for the Management of Cancer: A Chemical Review	3
Integration of single-cell sequencing and multi-omics approaches with pharmacological analysis to unveil biomarkers and mechanisms of traditional Chinese medicine in treating heart diseases	3
Potent α-glucosidase and tyrosinase inhibition by thiophene-based Schiff bases: Experimental and computational evaluation	3
Computational strategies for drug discovery in neurodegeneration: Targeting Alzheimer’s and Parkinson’s disease	3
The Synthesis and Pharmacological Activity of Ursolic Acid Derivatives Modified at C-28 and C-3 Sites	3
Structure-guided Development of Novel Benzothiophene Derivatives as PLK1-PBD Inhibitors	3
Coronavirus Inhibitory Activity of Tamarind Indica	3
Novel 5-fluoro-6-(4-(2-fluorophenyl)piperazin-1-yl)-2-(4-(4-methylpiperazin- 1-yl)phenyl)-1H-benzo[d]imidazole Derivatives as Promising Urease Inhibitors	3
Targeting Angiotensin-converting Enzyme Inhibitor via Enalapril Reduces Postsurgical Adhesion Band Formation	3
Assessment of Binding Site and Development of Small Molecule Inhibitors Targeting Epidermal Growth Factor Receptor Mutations in Non-Small Cell Lung Cancer (NSCLC)	3
In silico Investigation of the Pro-apoptotic Potential of Syringic Acid Analog	3
Effects of Compound in Hedyotis diffusa Willd against Acute Myeloid Leukemia: An In Silico and In Vitro Study	3
Mechanism of Yangxuetongmai Decoction in treating essential hypotension: A network pharmacology, Mendelian randomization and molecular docking strategy analysis	3
Exploring the mechanism of shikonin in ameliorating allergic rhinitis through integrated bioinformatics analysis, network pharmacology, and experimental validation	3
Susceptibility testing of Escherichia coli and Salmonella enterica to plant essential oils and commercial antibiotics	3
Formulation and Characterization Studies of Paclitaxel Incorporated Kollidon® SR and Chitosan Nanoparticles: An In vitro Evaluation for Potential Use for Colorectal Cancer Treatment	3
Vitexin inhibits the malignant progression of cervical cancer by regulating CDK2 expression	3
Metformin Sensitizes Cisplatin-induced Apoptosis Through Regulating Nucleotide Excision Repair Pathway In Cisplatin-resistant Human Lung Cancer Cells	3
Mechanism of Pyroptosis in Postoperative Cognitive Dysfunction Rats and α7-nicotinic Receptor Agonist Regulating NLRP3 Inflammasome Activation	3
Deciphering the Multi-target Pharmacological Mechanism of Sojae Semen Nigrum Acting on Breast Cancer through Integrating Network Pharmacology and Molecular Docking Approaches	3
Computational Design of a Novel Inhibitor against COVID	3
In-silico Studies, Synthesis, and Evaluation of Anti-inflammatory Activity of Novel Pyrimidine Scaffold	3
Quality by design-based development and validation of a robust RP-HPLC method for the simultaneous estimation of nirmatrelvir and ritonavir in pharmaceutical formulations	3
Evolution-based fragment growth protocol for design of potent RsmD inhibitors in mycobacterium tuberculosis	3
In silico Investigation of Identified Major Metabolites from Coffea Arabica Leaves against Parkinson’s Disease Target Proteins for Neuroprotective Drug Development	3
Synthesis and Anti-proliferative, Tyrosine Kinases Inhibitions of New Xanthene Derivatives and their Morphological Studies	3
Electrochemical Modification of Metronidazole and its Application as Antibacterial and Potential Drug Agent	3
Molecular Docking Studies for Protein-Targeted Drug Development in SARS-CoV-2	3
Gm15886-Hipk1 Signaling Pathway Plays Important Roles in the Pathogenesis of Bronchopulmonary Dysplasia Mice	3
Design and Screening of KLHL22 Inhibitors by Homology Modeling, Molecular Docking, and Molecular Dynamics Simulation	3
The Most Important Medicinal Herbs and Plants in Traditional Chinese and Iranian Medicinal Sciences with Antioxidant Activities	3
In silico design, one pot synthesis and pharmacological evaluation of tetra-substituted imidazoles as potential atypical antipsychotics	3
Exploring the Antitumor Potential of New Indazole-indolizines Designed by Molecular Hybridization	3
Bioactive Natural Leads and Traditional Herbal Plants in the Management of Inflammatory Bowel Diseases: A Brief Review	3
Identification of Novel CDK 4/6 Inhibitors by High-throughput Virtual Screening	3
Identification of Potential Inhibitors for Severe Acute Respiratory Syndrome-related Coronavirus 2 (SARS-CoV-2) Angiotensin-converting Enzyme 2 and the Main Protease from Anatolian Traditional Plants	3
Synthesis, Characterization, Antibacterial Evaluation, and Enzyme Inhibition Activity of a Novel Nitrogen-containing Heterocyclic Sulfonamide	3
Exploration of the potential molecular mechanism of magnolol in colorectal cancer treatment based on network pharmacology and molecular docking	3
The effects of hydrogen-rich water on gut microbiota and related health outcomes: A systematic review	3
Diversely Functionalized Pyridine Ring-fused Heterocycles and their Anticancer Properties	3
Asiaticoside Enhances the Osteoblast Potential of LPS-induced Periodontal Ligament Stem Cells through TLR4/NF-κB Pathway	3
Polyherbal DPP-IV inhibitors: In silico and in vivo insights into anti-diabetic drug design	3
Optimizing therapeutic strategies for hypertensive disorders of pregnancy through multi-omics integration and network pharmacology	3
Integrative network pharmacology and machine learning identify NLRP3 as a critical therapeutic target for liensinine in acute myocardial infarction	3
Exploring the mechanism of Grifolin in inhibiting the malignant progression of colon cancer cells mediated by the PDGFRB/PI3K/AKT signaling pathway based on bioinformatics analysis and network pharmac	3
Synthetic Transformation of 4-fluorobenzoic Acid to 4-fluorobenzohydrazide Schiff Bases and 1,3,4-Oxadiazole Analogs having DPPH Radical Scavenging Potential	3
Synthesis, Characterization, and Evaluation of Antioxidant Activities of 2-(1-(Substituted phenyl)ethylidene)-1-(4,6-dimethylpyrimidin-2-yl)hydrazines	3
Research Progress of Vitamin K2 Related Signal Pathways: A Literature Review	3
Synthesis and Biological Evaluation of Novel Oxazolidinone Derivatives Containing Dithiocarbamate Moiety as Antibacterial Agents	3
Insights into Evolutionary and Conservancy Analytics on Human Insulin Receptor Proteins	3
CD44 as the Target Site for Hyaluronic Acid in Favor of Colitis Management	3
Synthesis and Anticancer Activities of Novel Bis-chalcones Incorporating the 1,3-diphenyl-1H-pyrazole Moiety: In Silico and In Vitro Studies	3
Perillaldehyde Building Block’s Derivatives: Targeted Bioactivities and Molecular Docking	3
Virtual Screening of Novel Phytocompound(s) with Potential to Combat Mycobacterium tuberculosis Infection	3
A Review of the Azasteroid-type 5-alpha Reductase Inhibitors for the Management of Benign Prostatic Hyperplasia	3
Based on network pharmacology and molecular docking to explore the mechanism that Naringin alleviates neuronal injury after cerebral ischemia/reperfusion by inhibiting ferroptosis via TP53/SLC7A11	3
Molecular Dynamics Simulations and Binding Free Energy Calculations to Discover New Insights into NLRP3 Inhibitors	2
QSAR Studies on a Series of Pyrazole Azabicyclo [3.2.1] Octane Sulfonamides N-acylethanolamine-hydrolyzing Acid Amidase Inhibitors	2
In vitro Antibacterial Activity of Dye Compounds	2
Shugan Jiangzhi Decoction Alleviates Nonalcoholic Fatty Liver Disease (NAFLD) via Regulating AMPK/PPAR Signaling Pathway	2
A Rational Approach to Anticancer Drug Design: 2D and 3D- QSAR, Molecular Docking and Prediction of ADME Properties using Silico Studies of Thymidine Phosphorylase Inhibitors	2
Exploring MD-LOVIs, DIVATI and DRAGON descriptors for thermolysin inhibition modeling	2
The potential targets of salidroside in the treatment of pediatric epilepsy are revealed by network pharmacology, molecular docking, and cell experiments	2
3D-QSAR and Molecular Docking Studies of Pyrimidine-based EGFR Inhibitors	2
Molecular Modeling Study for the Evaluation of Natural Compounds as Potential Lanosterol 14α-Demethylase Inhibitors	2
Pharmacoinformatics-based identification of dual inhibitors of leishmanial DHFR and PTR1 enzymes	2
Dynamic Comparison of Binding Pocket of Berberine Protein Crystals	2
Mechanism of American Ginseng Against Type 2 Diabetes Mellitus Based on Network Pharmacology & Molecular Docking	2
In Silico and In Vitro Screening of Novel Pyridazine Analogs as Muscle Relaxant Agent on Acetylcholine Muscarinic Receptor	2
Development and optimization of a naproxen-chia seed oil emulgel for topical anti-inflammatory applications	2
Acenaphthotriazine Thio-triazole Derivatives as Anti-cancer Agents Triggering Cell Cycle Arrest in Breast Cancer Cells	2
Identification of Withanolide G as a Potential Inhibitor of Rho-associated Kinase-2 Catalytic Domain to Confer Neuroprotection in Ischemic Stroke	2
Synthesis of new metacetamol azo derivatives and assessment of their antibacterial and pharmacological potential	2
Synthesis of Ethyl Methyl 4-aryl-1,4-dihydropyridine-3,5-dicarboxylates as Potential Calcium Channel Blockers for Hypertension	2
Ginsenoside Rh3 suppresses cell proliferation, metastasis, and oxidative stress of colorectal cancer via targeting HSP90AA1	2