Letters in Drug Design & Discovery

Article	Citations
Acknowledgements to Reviewers	147
Preparation of Levothyroxine Transdermal Gels and Preliminary Pharmacokinetic Study in Hypothyroidism Rat Model	78
Piperazine-based Semicarbazone Derivatives as Potent Urease Inhibitors: Design, Synthesis, and Bioactivity Screening	35
Exploring Novel PLK1 Inhibitors based on Computational Studies of 2,4-Diarylaminopyrimidine Derivatives	33
Synthesis and Anticancer Activity of Oral Pt(IV) Prodrugs Containing α-furancarboxylate as an Axial Ligand	28
Repurposing Novel Antagonists for Targeting p7 Viroporin of HCV Using In Silico Approach	28
Molecular Docking, Molecular Dynamics Simulation, and Analysis of EGFR-derived Peptides against the EGF	27
Synthesis and Antimicrobial Activity of Functional Derivatives of thiazolo[ 2,3-c][1,2,4]triazoles	26
Regulation of Exosomes-Mediated circNR4A1 on Chemoresistance and Biological Effects of Oral Squamous Cell Carcinoma Cells	26
Ligand-based Pharmacophore Modeling, Molecular Docking and Simulation Studies for the Exploration of Natural Potent Antiangiogenic Inhibitors Targeting Heat Shock Protein 90	24
Innovative approaches in insulin delivery: Exploring molecular techniques and system developments	23
Discovery of Structural Prospects of Imidazo[1,5-a]pyrazine Derivatives as BTK Inhibitors Against Cancer: A Computational Study	22
A Review on Synthesis and Biological Potential of Dihydropyridines	20
Recent Developments, Challenges and Opportunities in Targeting the KRAS Pathway	19
Synthesis, Molecular Docking Studies, and In vitro Anticancer Evaluation of Novel Tolfenamic Acid Derivatives	18
Mechanistic Investigation of Glycyrrhiza uralensis Effects against Respiratory Ailments: Application of Network Pharmacology and Molecular Docking Approaches	17
Plant Secondary Metabolites as Apoptosis-inducing Agents	15
Design, Synthesis and In Vitro Anticancer Activity of Benzo[c]chromen-6- one-linked 1,2,3-Triazole	15
Computational Insights on Migraine and Anxiety in Association with BDNF	14
Synthesis, Characterization, and Evaluation of Sulfonium Lipids as Potential Nonviral Gene Vectors	14
Screening and Structure-Activity Relationship of Potential Compounds against Proposed Targets of COVID-19 Infection	13
Synergy Potential of Ursolic Acid-Based Hybrid Molecules	12
Computational Study of Lactucine and its Derivatives to Investigate its Anti-cancerous Properties Targeting Apoptosis-inducing Protein	12
Positive Expression of Paired Box 5 (Pax5) was Associated with Age, Tumor Location, and Tumor Size of Patients with Gastrointestinal Neuroendocrine Tumors (NETs)	12
Anti-cancerous Properties of the Synthesized Substituted Chromene Compounds and their Pharmacological Activities	11

Potent Small Molecules Inhibitors Discovery through Ligand-based Modelling for Effective Treatment of Parkinson’s Disease	11
Evaluation of the Impact of Pistacia atlantica Desf. Oleo-gum Resin on Complete Freund’s Adjuvant-induced Arthritis in a Wistar Rat Model	11
The Essential Role of Herbal-based Therapies in Combatting Acne Vulgaris	11
QSAR of SARS-CoV-2 Main Protease Inhibitors Utilizing Theoretical Molecular Descriptors	10
Study on the Mechanism of Sanqi in the Treatment of Disseminated Intravascular Coagulation-Based on Network Pharmacology and Molecular Docking Technology	10
The Role of Aquatic Plants in Natural Products and Drug Discovery	10
Unifying Theory and Experiments: Multi-Target Pharmacology of Dajihan Pill Against Hyperlipidemia	10
Implementation of PLGA-based Nanoparticles for Treatment of Colorectal Cancer	10
A Network Pharmacology Guided Mechanism of Action Study on Oldenlandia diffusa Against Osteosarcoma	9
Effect and safety of modified-release insulin-loaded liposome prototypes on glycemia in experimental models of type 1 diabetes mellitus	9
Ligand-based Molecular Modeling of HDL Receptor SR-BI Inhibitors as Potent Anti-hyperlipidemic Agents	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
Synthetic PARP-1 Inhibitors Reported During the Last Decade	9
Anti-Tumor Activity of Indole: A Review	8
The effect of serotonergic receptors (5HT3) on seizure threshold and mitochondrial damage induced by amitriptyline in the mouse brain	8
Phytochemical Characterization and Screening of the Anti-Pneumonia (Anti-COVID-19, Anti-Fungal, and Anti-Bacterial) Activities of Cuscuta Campestris Extract	8
Modified Release of Acetaminophen from Matrix Tablet Formulations: Influence of Tablet Geometry	8
Antimicrobial Activity of Halogen- and Chalcogen-Functionalized Thiazoloquinazolines	8
Anti-colorectal Cancer Activity of Quinazoline Derivatives: A Comprehensive Review	8
Restraint of Starch-hydrolyzing Enzyme in the Management of Postprandial Blood Glucose Level: An Alternative Approach	8
Evolutionary History of Oncogenes and Tumor Suppressor Genes Families: The Ancestral Origin in Mammals and Duplication Patterns	8
Formulation Development and Assessment of Solid Dispersion and Hydrotropy for BCS Class II Drug Solubility Enhancement	8
A Scoping Review on Recent Progress on Purpurin and its Derivatives	7
A Comparative Computational Analysis Approach to Predict Significant Protein-Protein Interactions of Human and Vancomycin Resistant Enterococcus faecalis (VRE) to Prioritize Potential Drug Targets	7
The Effects of Trigonella Foenum-graecum L. on Post-surgical Adhesion Band Formation	7
Exploring Nature’s Treasure for Drug Discovery	7
Design of VEGFR2 Inhibitors: Construction and Screening of Virtual Compound Libraries	7
A Comprehensive Review of the Advancement in Omic Technologies in the Field of Drug Discovery and Development	7
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	7
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
Advanced Oral Drug Delivery Systems for Combating and Preventing Paediatric Periodontal Disease	6
Antimicrobial Activities of Substituted 4-N-alkylated-2-trifluoromethylquinoline Analogs Against Nontuberculous Mycobacteria	6
Insight View on the Pharmacological Potential and Bio-active Components of Ginger	6
Saponins-uptake and Targeting Issues for Brain-specific Delivery for Enhanced Cell Death Induction in Glioblastoma	6
Synthesis and Pharmacological Activity of 4', 4''- bit Modified Curcumin Derivatives	6
WITHDRAWN: The Radix Achyranthes Bidentata Regulates BMSCsderived Chondrogenic Differentiation by Modulating Rab39a and Activating SOX9 and RHOA/RACK1 Signaling	6
Discovery of Natural Compounds as SARS-CoV-2’s Main Protease Inhibitors by Docking-based Virtual Screening	6
Identification of Novel Nrf2 Activator via Protein-ligand Interactions as Remedy for Oxidative Stress in Diabetes Mellitus	6
Design, Synthesis, and In vitro Biological Activities of Matrine Skeleton Derivatives as Potential Cancer Inhibitors	6
Advances in Isatin-derived Compounds for Modern Cancer Therapy: A Comprehensive Review	6
WITHDRAWN: Synthesis and Anticancer Activity of Newly Substituted 1,3,4-thiadiazole Derivatives: A Novel Class of Anticancer Agents	6
Molecular Docking: Principles, Advances, and Its Applications in Drug Discovery	6
Association of SARS-CoV-2 Infection and Triple Negative Breast Cancer (TNBC) A Computational Illustrative Study	6
Physically Crosslinked Polymeric Network for Controlled and Mucoadhesive Release of Miconazole for Topical Ocular Delivery	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
Recent Advances in Drug Design and Delivery Across Biological Barriers Using Computational Models	6
Analysis of Ultrasound Supported Antimicrobial and Antibiofilm Activities of Disinfection By-product Bromochloroacetonitrile	6
Docking Study on Caspase 3 Inhibitors As Potential Drugs For Traumatic Brain Cell Apoptosis	6
Synthesis and Studies of Anticancer and Antimicrobial Activity of New Phenylurenyl Chalcone Derivatives	6
Baicalein Promotes Acute Myeloid Leukemia Cell Autophagy via miR-424 and the PTEN/PI3K/AKT/mTOR Pathway	6

The Inhibitory Effect and Mechanism of Action of Myricaria germanica Essential Oils on Skin Inflammation based on Network Pharmacology and Molecular Docking	6
Neuroprotective and Nootropic Evaluation of some Important Medicinal Plants in Dementia: A Review	6
Whole-cell Lipase Catalytic Synthesis of Short-chain Fragrance Esters using Aspergillus flavus	6
Design, Synthesis, and In vitro Anticancer Activity of Novel Chrysin Derivatives	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
Bioinformatic Screening of Compounds from Iranian Lamiaceae Family Members against SARS-CoV-2 Spike Protein	5
“Thiophene”: A Sulphur Containing Heterocycle as a Privileged Scaffold	5
Novel 1,3,4-trisubstituted Pyrazolopyrimidine Derivatives Show Potent Antiproliferative Activity in Mantle Cell Lymphoma	5
Essential Structural Profile of Novel Adenosine Derivatives as Antiplatelet Aggregation Inhibitors based on 3D-QSAR Analysis	5
Exploring DPP-IV inhibitors for diabetes treatment: A comprehensive study on molecular docking, molecular dynamics simulation, and in-vitro DPP-IV assay	5
Design of Dual COX-2 and 5-LOX Inhibitors with Iron-Chelating Properties Using Structure-Based and Ligand-Based Methods	5
Development and characterization of suppository formulation for rectal delivery of clarithromycin	5
The Contribution of the Rat Mesenteric Vascular Bed Model to Phytopharmacology with Computational Studies of the Main Vasorelaxant Phytochemicals	5
Development and evaluation of optimized molecularly imprinted polymer (MIP) for targeted drug delivery of 5-Fluorouracil	5
Discovery of MAO-A Inhibitors as Antidepressant Based on Virtual Screening	5
A comprehensive in-silico approach (pharmacophoric QSAR and docking-based comparative intermolecular analysis) led to identifying new PIM2 kinase inhibitors for treating resistant lymphomas	5
Design, Synthesis, and Insecticidal Evaluation of New Benzoylureas Containing Carbamate Groups Based on the Bipartite Model of Sulfonylurea Receptor Binding Site	5
Design, Synthesis, and Assay of New N-acyl-4-(4-aminoalkoxy- phenyl)- thiazole-2-amine Derivatives as Acetylcholinesterase Inhibitors	5
Graviola Protects Against Hepatic Toxicity Associated with DMBA induced Breast Cancer via Restoration of Antioxidants and Attenuation of Inflammatory Pathways	5
In vitro Cholinesterase Inhibitory Activities of Piper betle Stem and their Correlation with In silico Docking Studies of its Phytoconstituents	5
Rings in “Lead-like Drugs”	5
Molecular Docking of the Terpenes in Gorgonian Corals to COX-2 and iNOS Enzymes as Anti-Inflammatory	5
Mechanism of Trigonella Foenum-graecum L. against Type 2 Diabetes Mellitus: Research on Network Pharmacology & Experimental Verification	5
Identifying TMPRSS2 Inhibitors by Drug Repurposing Screenings of Known fXIa Inhibitors: A Computational Study	5
Nanotechnology-Based Approaches for Nose-to-Brain Drug Delivery in Neurodegenerative Diseases	5
Synthesis and Biological Evaluation of Hydroxypropyl Ester of Mefenamic Acid as a Promising Prodrug	5
The Therapeutic Potential of Metformin for Attenuating Postsurgical Adhesion Band Formation	5
Molecular Modeling of some 1,3,4-Oxadiazole Derivatives as EGFR Inhibitors for the Treatment of Cancer	5
Nitrogen-containing Heterocyclic Derivatives of 1,3-Thiazolidine-2,4- Diones as Dual Anti-inflammatory and Anti-oxidant Agents and their Docking Studies	5
Angiotensin-Converting Enzyme Inhibition Properties and Antioxidant Effects of Plants and their Bioactive Compounds as Cardioprotective Agent	5
Morelloflavone as Potential Anticancer Agent Against MCF-7 Breast Cancer Cell Lines: In vitro and In silico Studies	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
Up-to-date Combinational Polymeric Approaches for the Enhancement of Drug Absorption and Membrane Transductivity	5
A Review on Biological Activity of Quinoline-based Hybrids	5
Network pharmacology, molecular docking, and experimental validation of dihydromyricetin attenuating LPS-induced acute lung injury by promoting FGFR1	5
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	5
Acknowledgements to Reviewers	5
Potential of Surface Functionalized Nanomaterials in Innovative Drug Development: A Mini-review	5
Exploring Novel Benzopyran Derivatives as Antitubercular Agents	5
Molecular Docking, Acute Toxicity and Antibacterial Study of Debilon and Phorbasterone-B Extracted from Rhodophyta	5
Based on the Network Pharmacology to Analyze the Effect of Chuanxiong in Improving Diabetic Nephropathy	4
Demonstration of Interaction between Carbapenem Group Antibiotics and Different Immunosuppressant Drugs by Molecular Docking	4
Preparation of Metformin Biodegradable Polymeric Microparticles by O/O Emulsion Solvent Evaporation: A 32 Full Factorial Design Approach	4
Synthesis, Characterization and Screening of Some Novel 2-Methyl-N'- [(Z)-Substituted-Phenyl ethylidene] Imidazo [1, 2-a] Pyridine-3-Carbohy drazide Derivatives as DPP-IV Inhibitors for the Treatment	4
A Novel Drug Delivery Platform Against Bacterial Resistance: Synthesis and Characterization of Ciprofloxacin-loaded MCM-41 Mesoporous Silica Nanoparticle	4
In silico De Novo Discovery of Novel Target-specific Drug-like Bidentate Inhibitors of PTP 1B	4
Pharmacophore Based Design of Probable FGFR-1 Inhibitors from the 3D Crystal Structure of Infigratinib - A Drug Used in the Treatment of Cholangiocarcinomas	4
Towards Further Understanding the Role of Curcumin in Wound Healing: A Systems Biology Approach	4
Quantum Mechanics Modeling of Oxetanes as Epoxide Hydrolase Substrates	4
Ethosomes: Novel Vesicular Carriers for Effective Transdermal Delivery of Natural Therapeutics	4
Rational Design and Synthesis of Novel Benzimidazole Derivatives as Potential β-Glucosidase Inhibitors	4
Garcinol: An emerging epigenetic modifier with versatile anticancer properties	4
Thymoquinone suppresses cell growth and induces ferroptosis in renal cell carcinoma by reducing SERPINH1 expression	4
Network Pharmacological Study of the Active Ingredient of Panax Notoginseng Saponins for the Treatment of Lung Cancer by Inhibiting AKR1C3	4
Novel 2-pyridone Analogs with Anti-cancer Activity: Synthesis, In silico, and In vitro Evaluation	4
Molecular Docking, Dynamics Simulation, and Physicochemical Analysis of Some Phytochemicals as Antiplatelet Agents	4
Conjugation of Mycophenolic Acid with Dextran: A Potential Strategy for Colon-Targeted Delivery for Mitigation of Inflamed Colon in Ulcerative Colitis	4
Efficacy and safety of PD-1/PD-L1 inhibitors for relapsed/metastatic nasopharyngeal carcinoma: A systematic review and meta-analysis	4
Polygenic Regulation by Flos Daturae in the Treatment of Breast Cancer: A Study based on Network Pharmacology and Bioinformatics	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
Bdellovibrio bacteriovorus Therapy, an Emerging Alternative to Antibiotics	4
A Review of the Azasteroid-type 5-alpha Reductase Inhibitors for the Management of Benign Prostatic Hyperplasia	3
Synthesis, Characterization, Antibacterial Evaluation, and Enzyme Inhibition Activity of a Novel Nitrogen-containing Heterocyclic Sulfonamide	3
Potential Drug Targets Identification Against Clostridioides Difficile (CD) and Characterization of Indispensable Proteins by a Subtractive Genomics Approach Followed by Virtual Screening	3
Synthesis, Characterization, and Evaluation of Antioxidant Activities of 2-(1-(Substituted phenyl)ethylidene)-1-(4,6-dimethylpyrimidin-2-yl)hydrazines	3
Synthesis, Computational Study, and Anticonvulsant Activity of Newly Synthesized 2-aminobenzothiazole Derivatives	3
Synthesis and Anti-proliferative, Tyrosine Kinases Inhibitions of New Xanthene Derivatives and their Morphological Studies	3
An appraisal on biomolecular imaging in diagnosis of neurological disorders and innovation in clinical research	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
Phytosome: An Effective Transdermal Drug Delivery System for Phytoconstituents	3
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	3
Palladium (II)-N-heterocyclic Carbene Complexes: Synthesis, Molecular Docking, UV-Vis Absorption and Enzyme Inhibition	3
Virtual Screening of Telaprevir and Danoprevir Derivatives for Hepatitis C Virus NS3/4A Protease Inhibitors	3
Synthesis of Chromen-1-phenylpropan-1-one Derivatives and their Antidepressant/ Anticonvulsant Activities	3
Molecular Modelling Simulations and Inhibitory Effects of Naturally Derived Flavonoids Targeting Platelet-Activating Factor Receptor (PAFR)	3
Susceptibility testing of Escherichia coli and Salmonella enterica to plant essential oils and commercial antibiotics	3
Lycopene-Loaded Solid Lipid Nanoparticles: Preparation, Characterization, ROS-Scavenging, and In vitro Anti-Melanogenesis Evaluations	3
Mechanism of Yangxuetongmai Decoction in treating essential hypotension: A network pharmacology, Mendelian randomization and molecular docking strategy analysis	3
Asiaticoside Enhances the Osteoblast Potential of LPS-induced Periodontal Ligament Stem Cells through TLR4/NF-κB Pathway	3
The Synthesis and Pharmacological Activity of Ursolic Acid Derivatives Modified at C-28 and C-3 Sites	3

Role of a Dual Inhibitor of RAS/PI3K/AKT and RAS/RAF/MEK on Post-surgical Adhesion Band Formation	3
Mechanism of Pyroptosis in Postoperative Cognitive Dysfunction Rats and α7-nicotinic Receptor Agonist Regulating NLRP3 Inflammasome Activation	3
Synthesis and Biological Activity of 2-pyridone Derivatives: A Mini Review	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
Investigating the mechanism of curcumin against LUAD malignant progression and macrophage M2 polarization based on network pharmacology, bioinformatics, and molecular docking	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
Natural Antioxidants of the Underutilized and Neglected Plant Species of Asia and South America	3
The Importance of Salicylic Acid, Humic Acid and Fulvic Acid on Crop Production	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
Structure-guided Development of Novel Benzothiophene Derivatives as PLK1-PBD Inhibitors	3
Imperatorin remits malignant progression of endometrial cancer by silencing E2F1/SLC3A2	3
Design and Screening of KLHL22 Inhibitors by Homology Modeling, Molecular Docking, and Molecular Dynamics Simulation	3
Exploration of the potential molecular mechanism of magnolol in colorectal cancer treatment based on network pharmacology and molecular docking	3
In-silico Studies, Synthesis, and Evaluation of Anti-inflammatory Activity of Novel Pyrimidine Scaffold	3
Synthesized Drug from Medicinal Plant phytochemicals Effectively Targets ECM1 Gene Mutations in Ulcerative Colitis	3
Identification of Novel CDK 4/6 Inhibitors by High-throughput Virtual Screening	3
Computational Design of a Novel Inhibitor against COVID	3
Metformin Sensitizes Cisplatin-induced Apoptosis Through Regulating Nucleotide Excision Repair Pathway In Cisplatin-resistant Human Lung Cancer Cells	3
Exploring the Antitumor Potential of New Indazole-indolizines Designed by Molecular Hybridization	3
One-Pot Green Synthesis of Novel Thiazolepyridine Conjugated Benzamides as Anti-Bacterial Agents and their Molecular Modelling Studies	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
Exploration of the mechanism of quercetin against GDM based on network pharmacology and molecular docking	3
Effects of Compound in Hedyotis diffusa Willd against Acute Myeloid Leukemia: An In Silico and In Vitro Study	3
Recent Advances in Therapeutic Strategies against Hydatid Cysts using Nanomaterials: A Systematic Review	3
Exploring the mechanism of action of tolvaptan in the treatment of cor pulmonale pulmonary hypertension using network pharmacology and animal-based experiments	3
CD44 as the Target Site for Hyaluronic Acid in Favor of Colitis Management	3
Bioactive Natural Leads and Traditional Herbal Plants in the Management of Inflammatory Bowel Diseases: A Brief Review	3
Deciphering the Multi-target Pharmacological Mechanism of Sojae Semen Nigrum Acting on Breast Cancer through Integrating Network Pharmacology and Molecular Docking Approaches	3
Perillaldehyde Building Block’s Derivatives: Targeted Bioactivities and Molecular Docking	3
Diversely Functionalized Pyridine Ring-fused Heterocycles and their Anticancer Properties	3
Tirzepatide: A First-in-class Twincretin for the Management of Type 2 Diabetes	2
Coronavirus Inhibitory Activity of Tamarind Indica	2
Cornus mas (Cornelian Cherry) Exerts Neuroprotective Effects on Cerebral Ischemia/Reperfusion Injury via Anti-inflammatory and Antioxidant Properties	2
Anti-evolution Drugs: A New Paradigm to Combat Drug Resistance	2
Synthesis and Biological Evaluation of Novel Oxazolidinone Derivatives Containing Dithiocarbamate Moiety as Antibacterial Agents	2
Design, Synthesis, Biological Evaluation, Molecular Docking, and Molecular Dynamics Simulation Studies of Fmoc-L-Lysine Carboxamides as Promising Cytotoxic Agents	2
Synthesis and Anticancer Activities of Novel Bis-chalcones Incorporating the 1,3-diphenyl-1H-pyrazole Moiety: In Silico and In Vitro Studies	2
Pyrazolone Derivatives: Synthetic Chemistry, Exploring Pharmacological Activity - A Mini Review	2
In silico Investigation of Identified Major Metabolites from Coffea Arabica Leaves against Parkinson’s Disease Target Proteins for Neuroprotective Drug Development	2
Exploring the Molecular Mechanisms of Astragalus membranaceus in Treating Pre-eclampsia using Network Pharmacology and Molecular Docking	2
Gm15886-Hipk1 Signaling Pathway Plays Important Roles in the Pathogenesis of Bronchopulmonary Dysplasia Mice	2
Existing Drug Repurposing for Glioblastoma to Discover Candidate Drugs as a New a Approach	2
Computational Studies on Isolated Compounds of Sclerochloa dura; their Efficacy towards Carbonic Anhydrase Inhibition and Anti-cancer Drug Targets	2
In silico Identification of Fructose-1,6-biphosphatase Inhibitory Potentials of Xanthones Isolated from African Medicinal Plants: An Integrated Computational Approach	2
An Overview of Tetramethylpyrazine (Ligustrazine) and its Derivatives as Potent Anti-Alzheimer’s Disease Agents	2
Dynamic Comparison of Binding Pocket of Berberine Protein Crystals	2
Uncovering the Biological Applications of Cinnamic Acid Derivatives: A Patent Review	2
Synthetic Transformation of 4-fluorobenzoic Acid to 4-fluorobenzohydrazide Schiff Bases and 1,3,4-Oxadiazole Analogs having DPPH Radical Scavenging Potential	2
Conducting 2D and 3D QSAR Analyses and Molecular Docking Studies of Analogues of 2-(1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl)ethan-1-ol with the Aim of Identifying Promising Drug Candidates for Targeti	2
Thiamine: A Natural Peroxisome Proliferator-Activated Receptor Gamma (PPAR-γ) Activator	2
Molecular Modeling Study for the Evaluation of Natural Compounds as Potential Lanosterol 14α-Demethylase Inhibitors	2
Chemical Composition, In vitro and In silico Evaluation of Essential Oil Extracted from Mentha Piperita L. for Lung Cancer	2
QSAR Studies on a Series of Pyrazole Azabicyclo [3.2.1] Octane Sulfonamides N-acylethanolamine-hydrolyzing Acid Amidase Inhibitors	2
Mesalamine may be a Plausible Therapeutic Agent for the Management of Diabetic Wounds: A Computational Approach	2
Molecular Docking Studies for Protein-Targeted Drug Development in SARS-CoV-2	2
Acenaphthotriazine Thio-triazole Derivatives as Anti-cancer Agents Triggering Cell Cycle Arrest in Breast Cancer Cells	2
Emerging Heterocyclic Epidermal Growth Factor Receptor Inhibitors for the Management of Cancer: A Chemical Review	2
Rationale Design, Synthesis, and Pharmacological Evaluation of Isatin Analogues as Antiseizure Agents	2
Virtual Screening of Novel Phytocompound(s) with Potential to Combat Mycobacterium tuberculosis Infection	2
Design and Synthesis of an Hsp90 and HDAC Dual Inhibitor as Antitumor Agent	2
In silico Investigation of the Pro-apoptotic Potential of Syringic Acid Analog	2
A Linear and Nonlinear QSAR Analysis of Benzimidazole Derivative XY123 in Prostate Cancer Treatment	2
Targeting Angiotensin-converting Enzyme Inhibitor via Enalapril Reduces Postsurgical Adhesion Band Formation	2
In Silico Studies of Piperidine Derivatives as Protein Kinase B Inhibitors through 3D-QSAR, Molecular Docking and Molecular Dynamics Simulation	2
Efficacy of Ozonated Olive Oil as a Topical Treatment for Dermatophytosis Caused by T. mentagrophytes in Rat Model	2
In Silico, In Vitro and In Vivo Assessment of Acetylcholinesterase Inhibitory Activity of Theobromine Derivatives Containing an Arylpiperazine Fragment	2
Stilbene-based Derivatives as Potential Inhibitors of Bcl-2 Antiapoptotic Proteins: A Molecular Docking Study and ADMET Prediction	2
Discovering Drug Candidates for Charcot Marie Tooth Disease Type-2	2
Ginsenoside Rh3 suppresses cell proliferation, metastasis, and oxidative stress of colorectal cancer via targeting HSP90AA1	2
Synthesis, characterization, and neuroprotective effect of taxifolin-conjugated gold nanoparticles against amyloid βeta induced Alzheimer’s disease	2
In Silico and In Vitro Screening of Novel Pyridazine Analogs as Muscle Relaxant Agent on Acetylcholine Muscarinic Receptor	2
Computational Study of Designed Peptide Analogs against Pseudomonas aeruginosa as a Possible Inhibitor of LptD Membrane Protein	2
1,3,4-Oxadiazole and Its Analogs: Recently Adopted Synthetic Approaches and Interaction with Targets	2
Novel STAT3 Inhibitor Exerts Anti-breast Cancer Effects Both In vitro and In vivo	2
3D-QSAR and Molecular Docking Studies of Pyrimidine-based EGFR Inhibitors	2
Electrochemical Modification of Metronidazole and its Application as Antibacterial and Potential Drug Agent	2
The Most Important Medicinal Herbs and Plants in Traditional Chinese and Iranian Medicinal Sciences with Antioxidant Activities	2
Molecular Dynamics Simulations and Binding Free Energy Calculations to Discover New Insights into NLRP3 Inhibitors	2
Design, Synthesis, and In Silico Studies of Novel N-(2-Aminophenyl)-2,3- Diphenylquinoxaline-6-Sulfonamide Derivatives Targeting Receptor- Binding Domain (RBD) of SARS-CoV-2 Spike Glycoprotein and the	2
Mechanism of American Ginseng Against Type 2 Diabetes Mellitus Based on Network Pharmacology & Molecular Docking	2
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	2
Anti-cancer Potential of Pleurotus Mushroom: Detailed Insight on the Potential Bioactive Molecules, In vitro-In vivo Studies, and Formulation	2
Insights into Evolutionary and Conservancy Analytics on Human Insulin Receptor Proteins	2
Neuroprotective Potential of Polydatin in Combating Parkinson’s Disease through the Inhibition of Monoamine Oxidase-B and Catechol-o-Methyl Transferase	2
Research Progress of Vitamin K2 Related Signal Pathways: A Literature Review	2
Treatment of Narcolepsy: A Rare Disease of Unknown Etiology	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
Synthesis of Ethyl Methyl 4-aryl-1,4-dihydropyridine-3,5-dicarboxylates as Potential Calcium Channel Blockers for Hypertension	2
The mechanism of Peilian Ephehuang Prescription in the treatment of simple obesity based on network pharmacology and molecular docking technology	2
Remifentanil and Propofol Co-loaded Nanoemulsion: Formulation Development and In vivo Pharmacodynamic Evaluation	2
Network Pharmacological Analysis and Experimental Validation of Anti-lung Cancer Effect of Echinacea Purpurea	2
Prediction of Inhibition Activity of BET Bromodomain Inhibitors using Grid Search-Based Extreme Learning Machine and Molecular Docking	2
3D-QSAR, Docking, and Molecular Dynamics Simulations Studies on Quinazoline Derivatives as PAK4 Inhibitors	2
Aptamers-based Strategies for the Treatment of Microbial Infections	2
C15-Imines of Natural Matrine Alkaloid as Anti-HIV-1 Agents	2