Letters in Drug Design & Discovery

Article	Citations
Synthesis, Characterization, and Evaluation of Sulfonium Lipids as Potential Nonviral Gene Vectors	74
Research on the Anti-tumor Activity of a Novel Aminopeptidase Inhibitor Based on 3D QSAR Model	56
Synthesis, Characterization, DPPH, Ferric Reducing, and Ferrous Ion- Chelating Activities of Isophthalate Schiff Bases	28
HDAC Inhibitors against SARS-CoV-2	27
Exploring Novel PLK1 Inhibitors based on Computational Studies of 2,4-Diarylaminopyrimidine Derivatives	26
Molecular Docking and Dynamics Study of Acetogenins Targeting Cyclin-dependent Kinase and In vitro Evaluation of Annona Muricata Fruit Extracts using MDA-MB-231 Breast Cancer Cell Line	25
Current Formulation Strategies to Design Novel Carriers for Targeted Drug Delivery and Management of Infectious Keratitis: A Comprehensive Review on the Present State of the Art	25
Reducing Hepatotoxicity Mechanism of Radix Wikstroemia Indica by Processing with “Sweat Soaking Method” Using UPLC-MS/MS and a Cocktail Probe Substrate	22
Preparation and Physicochemical Properties of a Thermosensitive Hydrogel-based Lipopeptide Biosurfactant	19
Recent Review on 1,3-Thiazole Derivatives as Therapeutic Targeted for Anticancer Activity	17
Structure-guided Development of Novel Benzothiophene Derivatives as PLK1-PBD Inhibitors	17
Synthesis, Computational Study of β-lactam Derivatives Bearing Quinazoline Schiff Bases as Anthelmintics	17
In vitro and In silico Antibacterial Evaluation of N-Methyl-2-phenylmaleimides	17
A Review of the Azasteroid-type 5-alpha Reductase Inhibitors for the Management of Benign Prostatic Hyperplasia	15
Targeting ADA and HIV-1 Nef Protein with Protease Inhibitors: A Repurposing Strategy through Molecular Networking and an In silico Approach for Integrated Management of HIV Co-infected with Abd	14
Natural Antidiabetic Agents: Molecular Docking Study using the Extra Precision Method	14
Description and In silico ADME Studies of US-FDA Approved Drugs or Drugs under Clinical Trial which Violate the Lipinski’s Rule of 5	14
Application of Nanotechnology for Herbal Medicine Development: A Review	13
Piperazine-based Semicarbazone Derivatives as Potent Urease Inhibitors: Design, Synthesis, and Bioactivity Screening	13
Preparation of Levothyroxine Transdermal Gels and Preliminary Pharmacokinetic Study in Hypothyroidism Rat Model	12
Preface	11
Synthesis and Computational Study of Some New 1-(1H-indol-1- yl)ethanone Derivatives on COX-2 Enzyme and Evaluation of In-Vivo Analgesic and Anti-inflammatory Activity	10
Formulation and Characterization Studies of Paclitaxel Incorporated Kollidon® SR and Chitosan Nanoparticles: An In vitro Evaluation for Potential Use for Colorectal Cancer Treatment	10
Review on the Discovery of New Benzimidazole Derivatives as Anticancer Agents: Synthesis and Structure-activity Relationship (2010-2022)	10
Computational Insights on Migraine and Anxiety in Association with BDNF	10

Synthesis of Piperidine Conjugated Quinoxalines as Potential Antibiofilm Agents	10
Formulation and Optimization of Trandolapril Oro-dispersible Tablets using the Quality by Design (QbD) Approach	10
A Current Review on Transdermal Delivery of Protein and Peptides: Possibilities and Challenges	8
Periplaneta Americana Extract CII-3 (PAE CII-3) Triggers the Aging of K562 Cells by Modulating SIRT1/TSC2/mTOR Molecules	8
Computational Study of Lactucine and its Derivatives to Investigate its Anti-cancerous Properties Targeting Apoptosis-inducing Protein	7
Positive Expression of Paired Box 5 (Pax5) was Associated with Age, Tumor Location, and Tumor Size of Patients with Gastrointestinal Neuroendocrine Tumors (NETs)	7
Triamcinolone as a Potential Inhibitor of SARS-CoV-2 Main Protease and Cytokine Storm: An In silico Study	7
One-Pot Green Synthesis of Novel Thiazolepyridine Conjugated Benzamides as Anti-Bacterial Agents and their Molecular Modelling Studies	7
Synergy Potential of Ursolic Acid-Based Hybrid Molecules	7
Metal Catalyst-Free One-pot Synthesis of Carboxamide Derivatives via Ugi-4CC Reaction and Its Anti-tubercular Study	7
Tyrosinase Inhibition by Novel Benzimidazole-thione Schiff Base Derivatives	7
Learning from the In Vitro Biological Activity Data of Current Antiviral Medicines for the Successful Development of New Antiviral Drug Candidates	7
In silico Identification of Novel SphK1 Inhibitors	6
WITHDRAWN: In-silico Screening of Novel Diterpene Derivatives for their Inhibitory Potentials against MurA Enzyme of Uropathogenic Escherichia coli	6
Repurposing Novel Antagonists for Targeting p7 Viroporin of HCV Using In Silico Approach	6
Ligand-based Pharmacophore Modeling, Molecular Docking and Simulation Studies for the Exploration of Natural Potent Antiangiogenic Inhibitors Targeting Heat Shock Protein 90	6
Structural Insights into Mouse β3-adrenergic Receptor: A Promising Target for Obesity and Diabetes Therapeutics	6
Synthesis and Anticancer Activity of Oral Pt(IV) Prodrugs Containing α-furancarboxylate as an Axial Ligand	6
Bioactive Natural Leads and Traditional Herbal Plants in the Management of Inflammatory Bowel Diseases: A Brief Review	6
Acknowledgements to Reviewers	6
Nature-derived Alkaloids as a Promising Bioactive Compound in Drug Discovery to Meet Global Leishmania Needs	6
Thiazole Derivatives as RORγt Inhibitors: Synthesis, Biological Evaluation, and Docking Analysis	6
Exploring the Biochemical Mechanisms of Fluoroquinolone Compounds against Tuberculosis by Utilizing Molecular Docking and Quantitative Structure-amino Acid Relationship	6
Synthesis, Computational Study, and Anticonvulsant Activity of Newly Synthesized 2-aminobenzothiazole Derivatives	6
Discovery of New Inhibitors of Human Activated Protein C to Treat Hemophilia	6
Exploring the Molecular Basis of Anticancer Activity in Various Mushroom Species Against Colorectal Cancer Cells	5
Identification of Novel PPAR-β/δ Agonists from Kaempferol, Quercetin, and Resveratrol Derivatives by Targeting Cancer: An Integrative Molecular Docking and Dynamics Simulation Approach	5
Screening and Structure-Activity Relationship of Potential Compounds against Proposed Targets of COVID-19 Infection	5
Synthesis, Molecular Docking Studies, and In vitro Anticancer Evaluation of Novel Tolfenamic Acid Derivatives	5
Role of a Dual Inhibitor of RAS/PI3K/AKT and RAS/RAF/MEK on Post-surgical Adhesion Band Formation	5
In silico Exploration of the Therapeutic Potential of Alkaloids as Anti-infective Agents	5
Titanium (IV) μ-Oxo Complex Supported by Phenoxyimine Ligand: Synthesis, Crystal Structure Characterisation, DFT and Molecular Docking Studies	5
Design and Synthesis of Novel Anti-proliferative Formononetin Derivatives	5
LC-MS/MS of Dexamethasone in Rabbit Vitreous Liquid Delivered through Novel Self-nanoemulsifying Drug Delivery Systems	5
Screening of Novel 1,2,4-triazine Clubbed 1,2,3-triazole Derivatives as Α-glucosidase Inhibitors: In Silico Study	5
In-silico Studies, Synthesis, and Evaluation of Anti-inflammatory Activity of Novel Pyrimidine Scaffold	5
Palladium (II)-N-heterocyclic Carbene Complexes: Synthesis, Molecular Docking, UV-Vis Absorption and Enzyme Inhibition	5
Repurposing FDA-approved Drugs Targeting SARS-CoV2 3CLpro: A Study by Applying Virtual Screening, Molecular Dynamics, MM-PBSA Calculations and Covalent Docking	5
Antioxidant and Antiangiogenic Effect of Homoleptic Palladium (II) Carboxamide Complex Loaded Chitosan Modified PLGA Nanoparticles: In vitro Evaluation and In vivo Chick Embryo Chorioallantoic Membran	5
Medicinal Plants and Bioactive Compounds with Potential Anti-inflammatory and Antidiabetic Activities: A Review	5
Development, Optimization, Characterization, and In-vitro Assessment of PEG-coated Docetaxel-loaded Proliposomes for Delivery to Breast Cancer Cells	5
Acute and Subchronic Treatment of Roasted and Unroasted Argan Oil on Postprandial Glycemia and Its Effect on Glucose Uptake by Isolated Rat Hemidiaphragm	5
A Review on Synthesis and Biological Potential of Dihydropyridines	5
Preparation and In vitro, Ex vivo Evaluation of Benzidamine Hydrochloride Loaded Fast Dissolving Oral Strip Formulations: Treatment of Oral Mucositis Due to Side Effects of Chemotherapy and Radiothera	5
CD44 as the Target Site for Hyaluronic Acid in Favor of Colitis Management	5
Molecular Mechanism of Finerenone in Treating Diabetic Nephropathy Based on Bioinformatics	5
Therapeutic Voyage of Graphene-based Biosensor	5
In silico Investigation of Caged Xanthone Compounds Isolated from Cratoxylum sumatranum Stem Bark against Entamoeba histolytica Enzymes	5
Crocin Potentiates Anti-tumor Properties of 5-FU by Regulating Cell Proliferation and Tumor Necrosis in Breast Cancer	5
Synthesis and Enzymological Characterization of Some 2-(Substitutedphenylamino) quinazolin-4(3H)-one Derivatives as Potent α-Glucosidase Inhibitors In Vitro	4

Design and Efficient Synthesis of Novel 4,5-Dimethylthiazole-Hydrazone Derivatives and their Anticancer Activity	4
Design and Optimization of Sustained-Release Trihexyphenidyl Hydrochloride Nanoparticles: Design of the Experiment Approach	4
Regulation of Exosomes-Mediated circNR4A1 on Chemoresistance and Biological Effects of Oral Squamous Cell Carcinoma Cells	4
Mentha longifolia ssp. longifolia Essential Oil Components as Novel Carbonic Anhydrase Isoform II and IX Inhibitors: Biological and Molecular Docking Studies	4
Investigating the Protective Role of Rhodanese Enzyme against Cyanide, the Cytotoxic by-product of Amygdalin, in HDF and L929 Cell Lines	4
Exploring and Designing Potential Inhibitors of SIRT2 in Natural Products by Artificial Intelligence (AI) and Molecular Dynamics Methods	4
Microwave-assisted Synthesis and Characterization of Acrylamide Grafted Copolymer of Okra Gum with the Application of 32 Central Composite Designs (CCD)	4
Plant Secondary Metabolites as Apoptosis-inducing Agents	4
Antimicrobials from Medicinal Plants: Key Examples, Success Stories and Prospects in Tackling Antibiotic Resistance	4
Synthesis and Biological Activity Evaluation of Polyfunctionalized Anthraquinonehydrazones	4
Novel N-(2-Methoxydibenzofuran-3-yl)-2-aryloxyacetamide Derivatives: Synthesis and Biological Investigation	4
Bioactive Compounds from Mimosa pudica Leaves Extract with Their α- glucosidase and Protein Tyrosine Phosphatase 1B Inhibitory Activities in vitro and in silico Approaches	4
Recent Developments, Challenges and Opportunities in Targeting the KRAS Pathway	4
Evaluation of Different Signal Peptides for Secretory Production of Recombinant Human Interferon-gamma: Bioinformatics Approach	4
Boesenbergia Pandurata as an Anti-Breast Cancer Agent: Molecular Docking and ADMET Study	4
Perillaldehyde Building Block’s Derivatives: Targeted Bioactivities and Molecular Docking	4
The Exploration of TCM Therapeutic Mechanism as Evidenced by Houpusanwu Decoction on GI Disorders Treatment using Systems Pharmacology	4
Synthesis and Antimicrobial Activity of Functional Derivatives of thiazolo[ 2,3-c][1,2,4]triazoles	4
Design, Molecular Docking, Synthesis, Characterization and Biological Activities of Novel Thiazole Derivatives	4
Computational and In vitro Elucidation of Indolenine-barbituric Acid Zwitterions as Potential Chemotherapeutical Agents	4
Modifications of Isoalantolactone Leading to Effective Anti-bacterial and Anti-viral Compounds	4
Metformin Sensitizes Cisplatin-induced Apoptosis Through Regulating Nucleotide Excision Repair Pathway In Cisplatin-resistant Human Lung Cancer Cells	4
In silico Design of Novel SAM Analogs as Potential Inhibitors Against N2G966 16s rRNA Methyltransferase (RsmD)	4
Aminoquinoline-triazine Conjugates: Design, Synthesis, Antibacterial Activity, and SAR Analysis	4
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	4
Computational Design of a Novel Candidate Multi-Epitope Vaccine to Boost Immune Responses against SARS‐COV‐2	4
In silico Studies on Potential Inhibitors of the Penicillin Binding Protein 2B (PBP2B) of the Resistant G54 and Intermediate-resistant Hungary 19A-6 and SP195 Strains of Streptococcus Pneumoniae	4
Design and Screening of KLHL22 Inhibitors by Homology Modeling, Molecular Docking, and Molecular Dynamics Simulation	4
Mechanistic Investigation of Glycyrrhiza uralensis Effects against Respiratory Ailments: Application of Network Pharmacology and Molecular Docking Approaches	4
Molecular Modelling Simulations and Inhibitory Effects of Naturally Derived Flavonoids Targeting Platelet-Activating Factor Receptor (PAFR)	4
New Chalcone Derivatives with Pyrazole and Sulfonamide Pharmacophores as Carbonic Anhydrase Inhibitors	3
The Role of Aquatic Plants in Natural Products and Drug Discovery	3
Anti-cancerous Properties of the Synthesized Substituted Chromene Compounds and their Pharmacological Activities	3
Hydroalcoholic Extract of Psoralea drupacea Inhibits Proliferation and Migration of Hepatocellular Carcinoma Cells and Decreases Angiogenesis in Chick Chorioallantoic Membrane	3
Preface	3
Design and Characterisation of Rosuvastatin Calcium Nanosuspension Loaded Transdermal Patch	3
Design, Synthesis, and Biological Evaluation of Novel Tetramethylpyrazine- nitrone Derivatives as Antioxidants	3
Synthesis, Design and Anti-inflammatory Activity of Novel 5-(Indol-3-yl)thiazolidinone Derivatives as COX-2 Inhibitors	3
Molecular Docking, Molecular Dynamics Simulation, and Analysis of EGFR-derived Peptides against the EGF	3
Phytosomal Curcumin and Shilajit Decrease Adhesion Bands Post-achilles Tendon Surgery in Animal Model	3
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	3
BHTCM Protects Müller Cells from Diabetic Retinopathy by Reducing Abnormal Changes of Kir4.1 and AQP4, Suppressing VEGF and IL-1β, and Enhancing PEDF Production	3
Clinical Efficacy of Vaccaria segetalis Seeds and Gleditsia sinensis Lam Thorns on Prostate Cancer: A Preliminary Mechanism Analysis based on Network Pharmacology	3
The 3D-QSAR Study, Molecular Docking, and ADMET Analysis of Darunavir Derivatives of HIV-1 Protease Inhibitors	3
Virtual Screening Based Discovery of PTP1B Inhibitors and Their Biological Evaluations	3
Current Trends in Computational Chemistry for Breast Cancer	3
Discovery of Structural Prospects of Imidazo[1,5-a]pyrazine Derivatives as BTK Inhibitors Against Cancer: A Computational Study	3
Synthesis of Chrysin, Quercetin and Naringin Nitroderivatives: Antiproliferative, Anti-inflammatory and Antioxidant Activity	3
Design, Synthesis and In Vitro Anticancer Activity of Benzo[c]chromen-6- one-linked 1,2,3-Triazole	3
Predicting the Potential Mechanism of Radix Sophorae Flavescentis Treating Hepatocellular Carcinoma Based on the Strategies of Network Pharmacology, Molecular Docking, and Molecular Dynamics Simulatio	3
Synthesis of 5(S)-Methyl-L-Proline Containing Peptidomimetic Compounds and their In Vitro Evaluation for Dipeptidyl Peptidase-4 Inhibition	3
Crosstalk between Exosomes and CAFs During Tumorigenesis, Exosomederived Biomarkers, and Exosome-mediated Drug Delivery	3
Kukoamine A Activates Akt/GSK-3β Pathway to Repress Oxidative Stress and Inflammation to Alleviate Myocardial Ischemia-reperfusion Injury	3
Bioactivity-guided Separation of Antinociceptive and Antioxidant Subfractions from Alkaline Chloroform Fraction of Fenugreek Seeds (Trigonella foenum-graecum L.) in an Animal Model	3
The Mechanism of 2-Methyl Valeric Acid Inhibiting Virulence Regulator Ser/Thr Phosphatase (Stp1) in Staphylococcus aureus	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
Pharmacophore-based Screening for Identification of Human Acyl-CoA Cholesterol Acyltransferase Inhibitors: An In-silico Study	3
Carbonic Anhydrase Inhibition Potential and Some Bioactivities of the Peripherally Tetrasubstituted Cobalt(II), Titanium(IV), Manganese(III) Phthalocyanines	3
Drug Repurposing for Thioredoxin Interacting Protein Through Molecular Networking, Pharmacophore Modelling, and Molecular Docking Approaches	3
Insights on Microsomal Prostaglandin E2 Synthase 1 (mPGES-1) Inhibitors using Molecular Dynamics and MM/PBSA Calculations	3
Structural Optimization of Quinazolin-4-one Derivatives as Novel SARS-CoV-2 Mpro Inhibitors by Molecular Simulation	2
Novel S-Mercaptotriazolebenzothiazole-Based Derivatives as Antimicrobial Agents: Design, Synthesis, and In Vitro Evaluation	2
Potential Inhibition of COVID-19 RNA-dependent RNA Polymerase by Hepatitis C Virus Non-nucleoside Inhibitors: An In-silico Perspective	2
Screening Active Phytochemicals of Some Ayurvedic Medicinal Plants to Identify Potential Inhibitors against SARS-CoV-2 Mpro by Computational Investigation	2
Assessment of Wound Healing Potential of Simvastatin Emulgel in Rat Excision Wound Model	2
Enhancing Renal Autophagy via Yangshen Paidu Decoction: AMPK/mTOR Pathway Modulation in Chronic Renal Failure Management	2
Determination of Binding Potential of HCV Protease Inhibitors Against to SARS-CoV-2 Papain-like Protease wtih Computational Docking	2
Design and Synthesis of Novel 5-Arylisoxazole-1,3,4-thiadiazole Hybrids as α-Glucosidase Inhibitors	2
The Essential Role of Herbal-based Therapies in Combatting Acne Vulgaris	2
Deciphering the Multi-target Pharmacological Mechanism of Sojae Semen Nigrum Acting on Breast Cancer through Integrating Network Pharmacology and Molecular Docking Approaches	2
In-silico Study to Identify Dietary Molecules as Potential SARS-CoV-2 Agents	2
An In-silico Approach to Identify Potential Drug Molecules for Alzheimer’s Disease: A Case Involving Four Therapeutic Targets	2
Self-assembling Peptides (SAPs) as Powerful Tools for the Preparation of Antimicrobial and Wound-Healing Nanostructures	2
Drug Repurposing Using Similarity-based Target Prediction, Docking Studies and Scaffold Hopping of Lefamulin	2
The Therapeutic Potential of Panax Ginseng and Ginger on Postsurgical Adhesion Band Formation	2
Phytochemical Characterization and Screening of the Anti-Pneumonia (Anti-COVID-19, Anti-Fungal, and Anti-Bacterial) Activities of Cuscuta Campestris Extract	2
Design, Synthesis and In Vitro Evaluation of 4-Oxo-6-Substituted Phenyl- 2-Thioxo1,2,3,4-Tetrahydropyrimidine-5-Carbonitrile Derivatives as HIV Integrase Strand Transfer Inhibitors	2
Synthesis of Novel Urea and Sulfonamide Derivatives of Isatin Schiff Bases as Potential Anti-cancer Agents	2
Molecular Docking Studies for Protein-Targeted Drug Development in SARS-CoV-2	2

Hepatoprotective Effects of Rheum turkestanicum Janisch on High-fat Diet-induced Non-alcoholic Fatty Liver Disease in Mice	2
Targeting the HIV-1 Tat and Human Tat Protein Complex through Natural Products: An In Silico Docking and Molecular Dynamics Simulation Approach	2
Optimization of Pharmacophore of Novel Hybrid Nucleus of 1,3,4- oxadiazole-chalcone using Literature Findings and In silico Approach as EGFR Inhibitor	2
Bioactive Isolates of Morus Species as Antibacterial Agents and their In Silico Profiling	2
The Anti-inflammatory Mechanism of Tauroursodeoxycholic Acid based on Network Pharmacology and Molecular Docking	2
Potential In-vitro Antiviral Activity of MV1035 on SARS-CoV-2 Wild Type Viruses	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
Assessment of Binding Site and Development of Small Molecule Inhibitors Targeting Epidermal Growth Factor Receptor Mutations in Non-Small Cell Lung Cancer (NSCLC)	2
Computational Studies to Explore Plant-based Inhibitors for Enoyl- (Acyl Carrier Protein)- Reductase (InhA) of Mycobacterium tuberculosis	2
In-silico Identification and Analysis of Hub Proteins for Designing Novel First-line Anti-seizure Medications	2
Preface	2
Synthesized Drug from Medicinal Plant phytochemicals Effectively Targets ECM1 Gene Mutations in Ulcerative Colitis	2
Quinoline-hydrazone Conjugates: Recent Insights into Synthetic Strategies, Structure-activity Relationship, and Biological Activities	2
Aryl-isoquinoline as a Potential Scaffold for Novel Antitumor Agents against Glioblastoma Cells	2
QSAR of SARS-CoV-2 Main Protease Inhibitors Utilizing Theoretical Molecular Descriptors	2
Anti-Tumor Activity of Indole: A Review	2
Computational Modeling of Aldose Reductase Inhibitory Activity of Flavonoids Derivatives for Diabetic Complications Treatment	2
Network Pharmacology-Based Prediction of Active Ingredients and Mechanisms of Zanthoxyli Bungeanum Against Lung Carcinoma	2
Self-double Emulsified Drug Delivery System of Pyridostigmine Bromide Augmented Permeation Across Caco-2 Cells	2
Implementation of PLGA-based Nanoparticles for Treatment of Colorectal Cancer	2
Synthesis, In Silico Pharmacokinetics, and Biological Evaluation of Some New Thiazolidinedione as PPAR-γ Agonists and Antibacterial Agents	2
Pros and Cons of Cardiovascular Herbal Therapy: Molecular Docking, ADMET, Physiological and Pharmacological Significance	2
Protective Effect of Artemisia absinthium Extract Against Glutamate- Induced Toxicity in PC12 Cells	2
Potential Drug Targets Identification Against Clostridioides Difficile (CD) and Characterization of Indispensable Proteins by a Subtractive Genomics Approach Followed by Virtual Screening	2
A Novel Design of Multi-epitope Peptide Vaccine Against Pseudomonas aeruginosa	2
Novel 1,2-Thiazine-Pyridine Hybrid: Design, Synthesis, Antioxidant Activity and Molecular Docking Study	2
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	2
Synthesis and Biological Evaluation of Novel Oxazolidinone Derivatives Containing Dithiocarbamate Moiety as Antibacterial Agents	2
A Machine Learning Language to Build a QSAR Model of Pyrazoline Derivative Inhibitors Targeting Mycobacterium tuberculosis Strain H37Rv	2
Landscape Determinants of Infectivity and Insights into Vaccine Development and Effectiveness - Novel Coronavirus	2
Asymmetric Dimethylarginine (ADMA) in Cardiovascular Disease, Cardiac Ischemia/reperfusion Injury, and Ischemic Non-obstructive Coronary Artery Disease: Biochemical and Pharmacological Implications	2
Synthesis, Antimicrobial Activity, and Molecular Modeling Studies of Some Benzoxazole Derivatives	2
Asiaticoside Enhances the Osteoblast Potential of LPS-induced Periodontal Ligament Stem Cells through TLR4/NF-κB Pathway	2
Effect and Mechanism of Resveratrol on Neurovascular Units in Rats with Acute Cerebral Ischemia	2
Emerging Heterocyclic Epidermal Growth Factor Receptor Inhibitors for the Management of Cancer: A Chemical Review	2
Study on the Mechanism of Sanqi in the Treatment of Disseminated Intravascular Coagulation-Based on Network Pharmacology and Molecular Docking Technology	2
Novel Hypoxia-related Biomarkers and Targeted Drugs for Acute Myocardial Infarction Revealed by Bioinformatics	2
Synthesis and Anticancer Activities of Novel Bis-chalcones Incorporating the 1,3-diphenyl-1H-pyrazole Moiety: In Silico and In Vitro Studies	2
Docking and Pharmacokinetic Studies for Screening Terpenoids from Erythroxylum Species as Anticancer Agents	2
Integrating Network Pharmacology and Transcriptomic Strategies to Explore the Pharmacological Mechanism of Paeoniflorin Exerts Antidepressant Effects	2
Formulation and Characterisation of Fluconazole Loaded MCM-41 Powder for Topical Drug Delivery	2
Effects of Compound in Hedyotis diffusa Willd against Acute Myeloid Leukemia: An In Silico and In Vitro Study	2
Synthesis, Characterization, Antibacterial Evaluation, and Enzyme Inhibition Activity of a Novel Nitrogen-containing Heterocyclic Sulfonamide	2
Implementation of the QbD Approach to the Development and Validation of an Analytical Method for Alpha-beta Arteether	2
Virtual Screening of Chinese Medicine Small Molecule Compounds Targeting SARS-CoV-2 3CL Protease (3CL pro)	2
General Perspectives for the Treatment of Atherosclerosis	2
Potent Small Molecules Inhibitors Discovery through Ligand-based Modelling for Effective Treatment of Parkinson’s Disease	2
Design and Synthesis of Tri-substituted Imidazole Derivatives as CD73 Inhibitors for Their Anticancer Activity	2
Insight into Quantum Computing and Deep Learning Approach for Drug Design	2
Unifying Theory and Experiments: Multi-Target Pharmacology of Dajihan Pill Against Hyperlipidemia	2
Synthesis and In Vitro Evaluation of Substituted Quinolines as New Apoptosis Inducers and Anticancer Agents: Pharmacophore-based Design	2
Bacillus Calmette Guerin Injection Improves Hindlimb Motor Function and Alleviates Inflammation through Upregulating Foxp3 Expression in Rats with Spinal Cord Injury	2
The Most Important Medicinal Herbs and Plants in Traditional Chinese and Iranian Medicinal Sciences with Antioxidant Activities	2
Identification of Natural Compounds with Analgesic and Antiinflammatory Properties Using Machine Learning and Molecular Docking Studies	2
The Synthesis and Pharmacological Activity of Ursolic Acid Derivatives Modified at C-28 and C-3 Sites	2
Synthetic PARP-1 Inhibitors Reported During the Last Decade	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
Antimicrobial Activity of Halogen- and Chalcogen-Functionalized Thiazoloquinazolines	2
Identification of Potent Bioactive Molecules Against NMDA Receptor and Tau Protein by Molecular Docking Approach	2
Molecular Dynamic Simulation and 3d-pharmacophore Modeling of Alpha Mangostin and Its Derivatives against Estrogen Alpha Receptor	2
Discovery of the Aminated Quinoxalines as Potential Active Molecules	2
Synthesis, Characterization, and Evaluation of Antioxidant Activities of 2-(1-(Substituted phenyl)ethylidene)-1-(4,6-dimethylpyrimidin-2-yl)hydrazines	2