Letters in Drug Design & Discovery

Article	Citations
Acknowledgements to Reviewers	113
Preparation of Levothyroxine Transdermal Gels and Preliminary Pharmacokinetic Study in Hypothyroidism Rat Model	70
Ligand-based Pharmacophore Modeling, Molecular Docking and Simulation Studies for the Exploration of Natural Potent Antiangiogenic Inhibitors Targeting Heat Shock Protein 90	32
Piperazine-based Semicarbazone Derivatives as Potent Urease Inhibitors: Design, Synthesis, and Bioactivity Screening	31
Repurposing Novel Antagonists for Targeting p7 Viroporin of HCV Using In Silico Approach	27
Exploring Novel PLK1 Inhibitors based on Computational Studies of 2,4-Diarylaminopyrimidine Derivatives	27
Synthesis and Anticancer Activity of Oral Pt(IV) Prodrugs Containing α-furancarboxylate as an Axial Ligand	26
Synergy Potential of Ursolic Acid-Based Hybrid Molecules	24
Synthesis and Antimicrobial Activity of Functional Derivatives of thiazolo[ 2,3-c][1,2,4]triazoles	23
A Review on Synthesis and Biological Potential of Dihydropyridines	22
Mechanistic Investigation of Glycyrrhiza uralensis Effects against Respiratory Ailments: Application of Network Pharmacology and Molecular Docking Approaches	20
Design, Synthesis and In Vitro Anticancer Activity of Benzo[c]chromen-6- one-linked 1,2,3-Triazole	20
Discovery of Structural Prospects of Imidazo[1,5-a]pyrazine Derivatives as BTK Inhibitors Against Cancer: A Computational Study	19
Plant Secondary Metabolites as Apoptosis-inducing Agents	18
Computational Insights on Migraine and Anxiety in Association with BDNF	17
Synthesis, Characterization, and Evaluation of Sulfonium Lipids as Potential Nonviral Gene Vectors	17
Screening and Structure-Activity Relationship of Potential Compounds against Proposed Targets of COVID-19 Infection	15
Molecular Docking, Molecular Dynamics Simulation, and Analysis of EGFR-derived Peptides against the EGF	14
Positive Expression of Paired Box 5 (Pax5) was Associated with Age, Tumor Location, and Tumor Size of Patients with Gastrointestinal Neuroendocrine Tumors (NETs)	14
Recent Developments, Challenges and Opportunities in Targeting the KRAS Pathway	13
Regulation of Exosomes-Mediated circNR4A1 on Chemoresistance and Biological Effects of Oral Squamous Cell Carcinoma Cells	12
Computational Study of Lactucine and its Derivatives to Investigate its Anti-cancerous Properties Targeting Apoptosis-inducing Protein	12
Synthesis, Molecular Docking Studies, and In vitro Anticancer Evaluation of Novel Tolfenamic Acid Derivatives	12
Modified Release of Acetaminophen from Matrix Tablet Formulations: Influence of Tablet Geometry	11
Anti-cancerous Properties of the Synthesized Substituted Chromene Compounds and their Pharmacological Activities	11

Evolutionary History of Oncogenes and Tumor Suppressor Genes Families: The Ancestral Origin in Mammals and Duplication Patterns	10
Anti-colorectal Cancer Activity of Quinazoline Derivatives: A Comprehensive Review	10
Effect and safety of modified-release insulin-loaded liposome prototypes on glycemia in experimental models of type 1 diabetes mellitus	10
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	10
Unifying Theory and Experiments: Multi-Target Pharmacology of Dajihan Pill Against Hyperlipidemia	10
Potent Small Molecules Inhibitors Discovery through Ligand-based Modelling for Effective Treatment of Parkinson’s Disease	9
Study on the Mechanism of Sanqi in the Treatment of Disseminated Intravascular Coagulation-Based on Network Pharmacology and Molecular Docking Technology	9
Evaluation of the Impact of Pistacia atlantica Desf. Oleo-gum Resin on Complete Freund’s Adjuvant-induced Arthritis in a Wistar Rat Model	8
Synthetic PARP-1 Inhibitors Reported During the Last Decade	8
Restraint of Starch-hydrolyzing Enzyme in the Management of Postprandial Blood Glucose Level: An Alternative Approach	8
Ligand-based Molecular Modeling of HDL Receptor SR-BI Inhibitors as Potent Anti-hyperlipidemic Agents	8
The Role of Aquatic Plants in Natural Products and Drug Discovery	8
The Essential Role of Herbal-based Therapies in Combatting Acne Vulgaris	8
Anti-Tumor Activity of Indole: A Review	8
Mode Action Prediction of Butein as Antibacterial Oral Pathogen against Enterococcus faecalis ATCC 29212 and an Inhibitor of MurA Enzyme: In Vitro and In Silico Study	8
QSAR of SARS-CoV-2 Main Protease Inhibitors Utilizing Theoretical Molecular Descriptors	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
Implementation of PLGA-based Nanoparticles for Treatment of Colorectal Cancer	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
A Network Pharmacology Guided Mechanism of Action Study on Oldenlandia diffusa Against Osteosarcoma	7
Phytochemical Characterization and Screening of the Anti-Pneumonia (Anti-COVID-19, Anti-Fungal, and Anti-Bacterial) Activities of Cuscuta Campestris Extract	7
Formulation Development and Assessment of Solid Dispersion and Hydrotropy for BCS Class II Drug Solubility Enhancement	7
Antimicrobial Activity of Halogen- and Chalcogen-Functionalized Thiazoloquinazolines	7
Advances in Isatin-derived Compounds for Modern Cancer Therapy: A Comprehensive Review	6
Exploring Nature’s Treasure for Drug Discovery	6
WITHDRAWN: Synthesis and Anticancer Activity of Newly Substituted 1,3,4-thiadiazole Derivatives: A Novel Class of Anticancer Agents	6
A Comparative Computational Analysis Approach to Predict Significant Protein-Protein Interactions of Human and Vancomycin Resistant Enterococcus faecalis (VRE) to Prioritize Potential Drug Targets	6
Homology Modelling and Virtual Screening of 3-deoxy-D-mannooctulosonic Acid Transferase of Aeromonas hydrophila as a Potential Target for Novel Natural Inhibitory Compounds	6
Design, Synthesis, and In vitro Biological Activities of Matrine Skeleton Derivatives as Potential Cancer Inhibitors	6
Synthesis and Studies of Anticancer and Antimicrobial Activity of New Phenylurenyl Chalcone Derivatives	6
A Scoping Review on Recent Progress on Purpurin and its Derivatives	6
Insight View on the Pharmacological Potential and Bio-active Components of Ginger	6
Design of Inhibitory Peptides of the Interaction between the RBD Domain of the S1 Protein of SARS-CoV-2 and the Angiotensin-Converting Enzyme 2 (ACE2) Receptor	6
Saponins-uptake and Targeting Issues for Brain-specific Delivery for Enhanced Cell Death Induction in Glioblastoma	6
Recent Advances in Drug Design and Delivery Across Biological Barriers Using Computational Models	6
Design of VEGFR2 Inhibitors: Construction and Screening of Virtual Compound Libraries	6
Advanced Oral Drug Delivery Systems for Combating and Preventing Paediatric Periodontal Disease	6
Analysis of Ultrasound Supported Antimicrobial and Antibiofilm Activities of Disinfection By-product Bromochloroacetonitrile	6
Antimicrobial Activities of Substituted 4-N-alkylated-2-trifluoromethylquinoline Analogs Against Nontuberculous Mycobacteria	6
A Review on Biological Activity of Quinoline-based Hybrids	5
Physically Crosslinked Polymeric Network for Controlled and Mucoadhesive Release of Miconazole for Topical Ocular Delivery	5
Graviola Protects Against Hepatic Toxicity Associated with DMBA induced Breast Cancer via Restoration of Antioxidants and Attenuation of Inflammatory Pathways	5
Angiotensin-Converting Enzyme Inhibition Properties and Antioxidant Effects of Plants and their Bioactive Compounds as Cardioprotective Agent	5
Design, Synthesis, and Insecticidal Evaluation of New Benzoylureas Containing Carbamate Groups Based on the Bipartite Model of Sulfonylurea Receptor Binding Site	5
The Effects of Trigonella Foenum-graecum L. on Post-surgical Adhesion Band Formation	5
Synthesis and Pharmacological Activity of 4', 4''- bit Modified Curcumin Derivatives	5
Novel 1,3,4-trisubstituted Pyrazolopyrimidine Derivatives Show Potent Antiproliferative Activity in Mantle Cell Lymphoma	5
Association of SARS-CoV-2 Infection and Triple Negative Breast Cancer (TNBC) A Computational Illustrative Study	5
Discovery of Natural Compounds as SARS-CoV-2’s Main Protease Inhibitors by Docking-based Virtual Screening	5
In vitro Cholinesterase Inhibitory Activities of Piper betle Stem and their Correlation with In silico Docking Studies of its Phytoconstituents	5

Selection of Active Antiviral Compounds Against COVID-19 Disease Targeting Coronavirus Endoribonuclease Nendou/NSP15 Via Ligandbased Virtual Screening and Molecular Docking	5
Glycolytic Inhibition and Antidiabetic Activity on Synthesized Flavanone Scaffolds with Computer Aided Drug Designing Tools	5
Up-to-date Combinational Polymeric Approaches for the Enhancement of Drug Absorption and Membrane Transductivity	5
The Inhibitory Effect and Mechanism of Action of Myricaria germanica Essential Oils on Skin Inflammation based on Network Pharmacology and Molecular Docking	5
Identification of Novel Nrf2 Activator via Protein-ligand Interactions as Remedy for Oxidative Stress in Diabetes Mellitus	5
Neuroprotective and Nootropic Evaluation of some Important Medicinal Plants in Dementia: A Review	5
Whole-cell Lipase Catalytic Synthesis of Short-chain Fragrance Esters using Aspergillus flavus	5
Rings in “Lead-like Drugs”	5
Docking Study on Caspase 3 Inhibitors As Potential Drugs For Traumatic Brain Cell Apoptosis	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
Bioinformatic Screening of Compounds from Iranian Lamiaceae Family Members against SARS-CoV-2 Spike Protein	5
Design, Synthesis, and In vitro Anticancer Activity of Novel Chrysin Derivatives	5
Morelloflavone as Potential Anticancer Agent Against MCF-7 Breast Cancer Cell Lines: In vitro and In silico Studies	5
A Comprehensive Review of the Advancement in Omic Technologies in the Field of Drug Discovery and Development	5
Molecular Docking: Principles, Advances, and Its Applications in Drug Discovery	5
WITHDRAWN: The Radix Achyranthes Bidentata Regulates BMSCsderived Chondrogenic Differentiation by Modulating Rab39a and Activating SOX9 and RHOA/RACK1 Signaling	5
Baicalein Promotes Acute Myeloid Leukemia Cell Autophagy via miR-424 and the PTEN/PI3K/AKT/mTOR Pathway	5
Identifying TMPRSS2 Inhibitors by Drug Repurposing Screenings of Known fXIa Inhibitors: A Computational Study	5
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	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
Exploring Novel Benzopyran Derivatives as Antitubercular Agents	4
The Therapeutic Potential of Metformin for Attenuating Postsurgical Adhesion Band Formation	4
Combinatorics, Big Data, Neural Network & AI for Medicinal Chemistry & Drug Administration	4
The Contribution of the Rat Mesenteric Vascular Bed Model to Phytopharmacology with Computational Studies of the Main Vasorelaxant Phytochemicals	4
Development and evaluation of optimized molecularly imprinted polymer (MIP) for targeted drug delivery of 5-Fluorouracil	4
Conjugation of Mycophenolic Acid with Dextran: A Potential Strategy for Colon-Targeted Delivery for Mitigation of Inflamed Colon in Ulcerative Colitis	4
A Novel Drug Delivery Platform Against Bacterial Resistance: Synthesis and Characterization of Ciprofloxacin-loaded MCM-41 Mesoporous Silica Nanoparticle	4
Ethosomes: Novel Vesicular Carriers for Effective Transdermal Delivery of Natural Therapeutics	4
Design of Dual COX-2 and 5-LOX Inhibitors with Iron-Chelating Properties Using Structure-Based and Ligand-Based Methods	4
Nanotechnology-Based Approaches for Nose-to-Brain Drug Delivery in Neurodegenerative Diseases	4
Potential of Surface Functionalized Nanomaterials in Innovative Drug Development: A Mini-review	4
Acknowledgements to Reviewers	4
Molecular Docking of the Terpenes in Gorgonian Corals to COX-2 and iNOS Enzymes as Anti-Inflammatory	4
“Thiophene”: A Sulphur Containing Heterocycle as a Privileged Scaffold	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
Discovery of MAO-A Inhibitors as Antidepressant Based on Virtual Screening	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
Rational Design and Synthesis of Novel Benzimidazole Derivatives as Potential β-Glucosidase Inhibitors	4
Molecular Modeling of some 1,3,4-Oxadiazole Derivatives as EGFR Inhibitors for the Treatment of Cancer	4
In silico De Novo Discovery of Novel Target-specific Drug-like Bidentate Inhibitors of PTP 1B	4
Mechanism of Trigonella Foenum-graecum L. against Type 2 Diabetes Mellitus: Research on Network Pharmacology & Experimental Verification	4
Synthesis and Biological Evaluation of Hydroxypropyl Ester of Mefenamic Acid as a Promising Prodrug	4
Nitrogen-containing Heterocyclic Derivatives of 1,3-Thiazolidine-2,4- Diones as Dual Anti-inflammatory and Anti-oxidant Agents and their Docking Studies	4
Design, Synthesis, and Assay of New N-acyl-4-(4-aminoalkoxy- phenyl)- thiazole-2-amine Derivatives as Acetylcholinesterase Inhibitors	4
Network pharmacology, molecular docking, and experimental validation to explore dihydromyricetin attenuates LPS-induced acute lung injury by promoting FGFR1	4
A Study on Leukemic and Non-small Cell Lung Cancer Efficacy of Novel Isoxazoles Synthesized by Microwave Irradiation	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
Meet the Editor-in-Chief	4
Recent Advances in Therapeutic Strategies against Hydatid Cysts using Nanomaterials: A Systematic Review	4
Essential Structural Profile of Novel Adenosine Derivatives as Antiplatelet Aggregation Inhibitors based on 3D-QSAR Analysis	4
Molecular Docking, Acute Toxicity and Antibacterial Study of Debilon and Phorbasterone-B Extracted from Rhodophyta	4
Demonstration of Interaction between Carbapenem Group Antibiotics and Different Immunosuppressant Drugs by Molecular Docking	3
Based on the Network Pharmacology to Analyze the Effect of Chuanxiong in Improving Diabetic Nephropathy	3
Bioactive Natural Leads and Traditional Herbal Plants in the Management of Inflammatory Bowel Diseases: A Brief Review	3
Effects of Compound in Hedyotis diffusa Willd against Acute Myeloid Leukemia: An In Silico and In Vitro Study	3
Imperatorin remits malignant progression of endometrial cancer by silencing E2F1/SLC3A2	3
A Review of the Azasteroid-type 5-alpha Reductase Inhibitors for the Management of Benign Prostatic Hyperplasia	3
Synthesis of Chromen-1-phenylpropan-1-one Derivatives and their Antidepressant/ Anticonvulsant Activities	3
Network Pharmacological Study of the Active Ingredient of Panax Notoginseng Saponins for the Treatment of Lung Cancer by Inhibiting AKR1C3	3
Synthesis and Biological Activity of 2-pyridone Derivatives: A Mini Review	3
Metformin Sensitizes Cisplatin-induced Apoptosis Through Regulating Nucleotide Excision Repair Pathway In Cisplatin-resistant Human Lung Cancer Cells	3
Natural Antioxidants of the Underutilized and Neglected Plant Species of Asia and South America	3
Synthesis, Computational Study, and Anticonvulsant Activity of Newly Synthesized 2-aminobenzothiazole Derivatives	3
Bdellovibrio bacteriovorus Therapy, an Emerging Alternative to Antibiotics	3
Pharmacophore Based Design of Probable FGFR-1 Inhibitors from the 3D Crystal Structure of Infigratinib - A Drug Used in the Treatment of Cholangiocarcinomas	3
Quantum Mechanics Modeling of Oxetanes as Epoxide Hydrolase Substrates	3
Exploration of the mechanism of quercetin against GDM based on network pharmacology and molecular docking	3
One-Pot Green Synthesis of Novel Thiazolepyridine Conjugated Benzamides as Anti-Bacterial Agents and their Molecular Modelling Studies	3
Perillaldehyde Building Block’s Derivatives: Targeted Bioactivities and Molecular Docking	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
Exploring the mechanism of action of tolvaptan in the treatment of cor pulmonale pulmonary hypertension using network pharmacology and animal-based experiments	3
Lycopene-Loaded Solid Lipid Nanoparticles: Preparation, Characterization, ROS-Scavenging, and In vitro Anti-Melanogenesis Evaluations	3
Design and Screening of KLHL22 Inhibitors by Homology Modeling, Molecular Docking, and Molecular Dynamics Simulation	3
Preparation of Metformin Biodegradable Polymeric Microparticles by O/O Emulsion Solvent Evaporation: A 32 Full Factorial Design Approach	3
CD44 as the Target Site for Hyaluronic Acid in Favor of Colitis Management	3
Garcinol: An emerging epigenetic modifier with versatile anticancer properties	3
Palladium (II)-N-heterocyclic Carbene Complexes: Synthesis, Molecular Docking, UV-Vis Absorption and Enzyme Inhibition	3
Molecular Docking, Dynamics Simulation, and Physicochemical Analysis of Some Phytochemicals as Antiplatelet Agents	3
Novel 2-pyridone Analogs with Anti-cancer Activity: Synthesis, In silico, and In vitro Evaluation	3
Towards Further Understanding the Role of Curcumin in Wound Healing: A Systems Biology Approach	3

Virtual Screening of Telaprevir and Danoprevir Derivatives for Hepatitis C Virus NS3/4A Protease Inhibitors	3
Structure-guided Development of Novel Benzothiophene Derivatives as PLK1-PBD Inhibitors	3
Synthesis and Enzymological Characterization of Some 2-(Substitutedphenylamino) quinazolin-4(3H)-one Derivatives as Potent α-Glucosidase Inhibitors In Vitro	3
In-silico Studies, Synthesis, and Evaluation of Anti-inflammatory Activity of Novel Pyrimidine Scaffold	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
Thymoquinone suppresses cell growth and induces ferroptosis in renal cell carcinoma by reducing SERPINH1 expression	3
The Importance of Salicylic Acid, Humic Acid and Fulvic Acid on Crop Production	3
Molecular Modelling Simulations and Inhibitory Effects of Naturally Derived Flavonoids Targeting Platelet-Activating Factor Receptor (PAFR)	3
Phytosome: An Effective Transdermal Drug Delivery System for Phytoconstituents	3
Role of a Dual Inhibitor of RAS/PI3K/AKT and RAS/RAF/MEK on Post-surgical Adhesion Band Formation	3
Polygenic Regulation by Flos Daturae in the Treatment of Breast Cancer: A Study based on Network Pharmacology and Bioinformatics	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
Virtual Screening, Molecular Docking, and Physiochemical Analysis of Novel 1,3-diphenyl-2-propene-1-one as Dual COX-2/5-LOX Inhibitors	3
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 and Anti-proliferative, Tyrosine Kinases Inhibitions of New Xanthene Derivatives and their Morphological Studies	2
Dynamic Comparison of Binding Pocket of Berberine Protein Crystals	2
Molecular Docking Studies for Protein-Targeted Drug Development in SARS-CoV-2	2
The Most Important Medicinal Herbs and Plants in Traditional Chinese and Iranian Medicinal Sciences with Antioxidant Activities	2
Susceptibility testing of Escherichia coli and Salmonella enterica to plant essential oils and commercial antibiotics	2
Novel STAT3 Inhibitor Exerts Anti-breast Cancer Effects Both In vitro and In vivo	2
Mechanism of Yangxuetongmai Decoction in treating essential hypotension: A network pharmacology, Mendelian randomization and molecular docking strategy analysis	2
Exploration of the potential molecular mechanism of magnolol in colorectal cancer treatment based on network pharmacology and molecular docking	2
Synthetic Transformation of 4-fluorobenzoic Acid to 4-fluorobenzohydrazide Schiff Bases and 1,3,4-Oxadiazole Analogs having DPPH Radical Scavenging Potential	2
C15-Imines of Natural Matrine Alkaloid as Anti-HIV-1 Agents	2
Potential Drug Targets Identification Against Clostridioides Difficile (CD) and Characterization of Indispensable Proteins by a Subtractive Genomics Approach Followed by Virtual Screening	2
Synthesis and Biological Evaluation of Novel Oxazolidinone Derivatives Containing Dithiocarbamate Moiety as Antibacterial Agents	2
1,3,4-Oxadiazole and Its Analogs: Recently Adopted Synthetic Approaches and Interaction with Targets	2
Thiamine: A Natural Peroxisome Proliferator-Activated Receptor Gamma (PPAR-γ) Activator	2
Insights into Evolutionary and Conservancy Analytics on Human Insulin Receptor Proteins	2
Survey on Medicinal Plants and Herbs in Traditional Iranian Medicine with Anti-oxidant, Anti-viral, Anti-microbial, and Anti-inflammation Properties	2
Cornus mas (Cornelian Cherry) Exerts Neuroprotective Effects on Cerebral Ischemia/Reperfusion Injury via Anti-inflammatory and Antioxidant Properties	2
In silico Investigation of Identified Major Metabolites from Coffea Arabica Leaves against Parkinson’s Disease Target Proteins for Neuroprotective Drug Development	2
Discovering Drug Candidates for Charcot Marie Tooth Disease Type-2	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
Synthesis of Ethyl Methyl 4-aryl-1,4-dihydropyridine-3,5-dicarboxylates as Potential Calcium Channel Blockers for Hypertension	2
A Linear and Nonlinear QSAR Analysis of Benzimidazole Derivative XY123 in Prostate Cancer Treatment	2
Identification of Novel CDK 4/6 Inhibitors by High-throughput Virtual Screening	2
Stilbene-based Derivatives as Potential Inhibitors of Bcl-2 Antiapoptotic Proteins: A Molecular Docking Study and ADMET Prediction	2
The mechanisms of Mahuang decoction in treating COPD: Insights from network pharmacology and in vivo studies	2
Computational Bioactivity Analysis and Bioisosteric Investigation of the Approved Breast Cancer Drugs Proposed New Design Drug Compounds: Increased Bioactivity Coming with Silicon and Boron	2
Deciphering the Multi-target Pharmacological Mechanism of Sojae Semen Nigrum Acting on Breast Cancer through Integrating Network Pharmacology and Molecular Docking Approaches	2
Uncovering the Biological Applications of Cinnamic Acid Derivatives: A Patent Review	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
Exploring the Antitumor Potential of New Indazole-indolizines Designed by Molecular Hybridization	2
Treatment of Narcolepsy: A Rare Disease of Unknown Etiology	2
Asiaticoside Enhances the Osteoblast Potential of LPS-induced Periodontal Ligament Stem Cells through TLR4/NF-κB Pathway	2
Assessment of Binding Site and Development of Small Molecule Inhibitors Targeting Epidermal Growth Factor Receptor Mutations in Non-Small Cell Lung Cancer (NSCLC)	2
Ezetimibe Inhibits Cell Viability and Invasion by Suppressing PI3K/AKT Signaling Pathway in Human Osteosarcoma Cells	2
Targeting Angiotensin-converting Enzyme Inhibitor via Enalapril Reduces Postsurgical Adhesion Band Formation	2
Emerging Heterocyclic Epidermal Growth Factor Receptor Inhibitors for the Management of Cancer: A Chemical Review	2
In Silico Studies of Piperidine Derivatives as Protein Kinase B Inhibitors through 3D-QSAR, Molecular Docking and Molecular Dynamics Simulation	2
Network Pharmacological Analysis and Experimental Validation of Anti-lung Cancer Effect of Echinacea Purpurea	2
Chemical Composition, In vitro and In silico Evaluation of Essential Oil Extracted from Mentha Piperita L. for Lung Cancer	2
Repurposing of Drugs and HTS to Combat SARS-CoV-2 Main Protease Utilizing Structure-Based Molecular Docking	2
An Overview of Tetramethylpyrazine (Ligustrazine) and its Derivatives as Potent Anti-Alzheimer’s Disease Agents	2
Computational Study of Designed Peptide Analogs against Pseudomonas aeruginosa as a Possible Inhibitor of LptD Membrane Protein	2
Gm15886-Hipk1 Signaling Pathway Plays Important Roles in the Pathogenesis of Bronchopulmonary Dysplasia Mice	2
Mechanism of American Ginseng Against Type 2 Diabetes Mellitus Based on Network Pharmacology & Molecular Docking	2
Design and Synthesis of an Hsp90 and HDAC Dual Inhibitor as Antitumor Agent	2
Virtual Screening of Novel Phytocompound(s) with Potential to Combat Mycobacterium tuberculosis Infection	2
In silico Identification of Fructose-1,6-biphosphatase Inhibitory Potentials of Xanthones Isolated from African Medicinal Plants: An Integrated Computational Approach	2
Molecular Docking, DFT Studies and ADMET Simulations for Evaluating Already Approved FDA Drugs as Inhibitors for SARS-Cov-2 RNADependent Polymerase	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
Design, Synthesis, Biological Evaluation, Molecular Docking, and Molecular Dynamics Simulation Studies of Fmoc-L-Lysine Carboxamides as Promising Cytotoxic Agents	2
Computational Design of a Novel Inhibitor against COVID	2
Diagnostic, Prognostic and Therapeutic Potential of Heat Shock Proteins in Schistosomiasis and Bladder Cancer: A Review	2
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	2
Prediction of Inhibition Activity of BET Bromodomain Inhibitors using Grid Search-Based Extreme Learning Machine and Molecular Docking	2
Synthesis, Characterization, and Evaluation of Antioxidant Activities of 2-(1-(Substituted phenyl)ethylidene)-1-(4,6-dimethylpyrimidin-2-yl)hydrazines	2
Neuroprotective Potential of Polydatin in Combating Parkinson’s Disease through the Inhibition of Monoamine Oxidase-B and Catechol-o-Methyl Transferase	2
Synthesis, Characterization, Antibacterial Evaluation, and Enzyme Inhibition Activity of a Novel Nitrogen-containing Heterocyclic Sulfonamide	2
Electrochemical Modification of Metronidazole and its Application as Antibacterial and Potential Drug Agent	2
Mechanism of Pyroptosis in Postoperative Cognitive Dysfunction Rats and α7-nicotinic Receptor Agonist Regulating NLRP3 Inflammasome Activation	2
Exploring the Molecular Mechanisms of Astragalus membranaceus in Treating Pre-eclampsia using Network Pharmacology and Molecular Docking	2
Synthesis and Anticancer Activities of Novel Bis-chalcones Incorporating the 1,3-diphenyl-1H-pyrazole Moiety: In Silico and In Vitro Studies	2
Diversely Functionalized Pyridine Ring-fused Heterocycles and their Anticancer Properties	2
Development of Potential Antidiabetic Agents using 2D and 3D QSAR, Molecular Docking and ADME Properties In-silico Studies of α-amylase Inhibitors	2
Research Progress of Vitamin K2 Related Signal Pathways: A Literature Review	2
The Synthesis and Pharmacological Activity of Ursolic Acid Derivatives Modified at C-28 and C-3 Sites	2
Efficacy of Ozonated Olive Oil as a Topical Treatment for Dermatophytosis Caused by T. mentagrophytes in Rat Model	2
3D-QSAR, Docking, and Molecular Dynamics Simulations Studies on Quinazoline Derivatives as PAK4 Inhibitors	2
In silico Investigation of the Pro-apoptotic Potential of Syringic Acid Analog	2
Remifentanil and Propofol Co-loaded Nanoemulsion: Formulation Development and In vivo Pharmacodynamic Evaluation	2
Anti-cancer Potential of Pleurotus Mushroom: Detailed Insight on the Potential Bioactive Molecules, In vitro-In vivo Studies, and Formulation	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
Pyrazolone Derivatives: Synthetic Chemistry, Exploring Pharmacological Activity - A Mini Review	2
Coronavirus Inhibitory Activity of Tamarind Indica	2
In Silico, In Vitro and In Vivo Assessment of Acetylcholinesterase Inhibitory Activity of Theobromine Derivatives Containing an Arylpiperazine Fragment	2
1,2,4 Triazoles and 1,2,4 Oxadiazoles Scaffold as SGLT2 Inhibitors: Molecular Docking and ADMET Studies	2
Amidoximes and their Cyclized Analogue Oxadiazoles as New Frontiers in Chemical Biology: Mini Review	2
Aptamers-based Strategies for the Treatment of Microbial Infections	2
Synthesized Drug from Medicinal Plant phytochemicals Effectively Targets ECM1 Gene Mutations in Ulcerative Colitis	2
The mechanism of Peilian Ephehuang Prescription in the treatment of simple obesity based on network pharmacology and molecular docking technology	2
Mesalamine may be a Plausible Therapeutic Agent for the Management of Diabetic Wounds: A Computational Approach	2