Letters in Drug Design & Discovery

Article	Citations
The New Era of Drug Discovery: The Power of Computer-aided Drug Design (CADD)	42
Molecular Docking: Principles, Advances, and Its Applications in Drug Discovery	39
In Silico Identification of New Anti-SARS-CoV-2 Agents from Bioactive Phytocompounds Targeting the Viral Spike Glycoprotein and Human TLR4	22
Phytoestrogens as Potential Antiandrogenic Agents Against Prostate Cancer: An In Silico Analysis	22
Combinatorics, Big Data, Neural Network & AI for Medicinal Chemistry & Drug Administration	21
Survey on Medicinal Plants and Herbs in Traditional Iranian Medicine with Anti-oxidant, Anti-viral, Anti-microbial, and Anti-inflammation Properties	21
Synthesis and Anticancer Activities of Novel Bis-chalcones Incorporating the 1,3-diphenyl-1H-pyrazole Moiety: In Silico and In Vitro Studies	20
Synthesis, Antimicrobial Activity, and Molecular Modeling Studies of Some Benzoxazole Derivatives	19
Molecular Docking Analysis of Flavonoid Compounds with Matrix Metalloproteinase- 8 for the Identification of Potential Effective Inhibitors	18
Chalcones and Bis-Chalcones Analogs as DPPH and ABTS Radical Scavengers	16
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	15
Recent Advances in Drug Design and Delivery Across Biological Barriers Using Computational Models	14
In-silico Study to Identify Dietary Molecules as Potential SARS-CoV-2 Agents	13
Repurposing FDA-approved Drugs Targeting SARS-CoV2 3CLpro: A Study by Applying Virtual Screening, Molecular Dynamics, MM-PBSA Calculations and Covalent Docking	13
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	12
Exploration of Luteolin as Potential Anti-COVID-19 Agent: Molecular Docking, Molecular Dynamic Simulation, ADMET and DFT Analysis	12
New Chalcone Derivatives with Pyrazole and Sulfonamide Pharmacophores as Carbonic Anhydrase Inhibitors	11
The Importance of Salicylic Acid, Humic Acid and Fulvic Acid on Crop Production	11
Microwave Assisted, Antimicrobial Activity and Molecular Modeling of Some Synthesized Newly Pyrimidine Derivatives Using 1, 4-diazabicyclo[2.2.2]octane as a Catalyst	11
Synthesis, Biological Evaluation, and Docking Analysis of Novel Tetrahydrobenzothiophene Derivatives	11
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	10
In silico Screening of Phytoconstituents with Antiviral Activities Against SARS-COV-2 Main Protease, Nsp12 Polymerase, and Nsp13 Helicase Proteins	10
Prediction of Inhibition Activity of BET Bromodomain Inhibitors using Grid Search-Based Extreme Learning Machine and Molecular Docking	10
Repurposing of Drugs and HTS to Combat SARS-CoV-2 Main Protease Utilizing Structure-Based Molecular Docking	9
Optimized Synthesis and Cytotoxic Activity of α-Aminophosphonates Against a Multidrug Resistant Uterine Sarcoma Cell Line	9

In Silico Anticancer Evaluation, Molecular Docking and Pharmacophore Modeling of Flavonoids against Various Cancer Targets	9
Importance of Thymoquinone, Sulforaphane, Phloretin, and Epigallocatechin and their Health Benefits	8
Neuroprotective and Neuroregenerative Effects of Shikonin-mediated Inhibition of NF-κB/Stat3 in Alcoholic Encephalopathy	8
Synthetic Transformation of 4-fluorobenzoic Acid to 4-fluorobenzohydrazide Schiff Bases and 1,3,4-Oxadiazole Analogs having DPPH Radical Scavenging Potential	8
Preliminary Identification of Hamamelitannin and Rosmarinic Acid as COVID-19 Inhibitors Based on Molecular Docking	7
Synthesis of Chrysin, Quercetin and Naringin Nitroderivatives: Antiproliferative, Anti-inflammatory and Antioxidant Activity	7
Tetralone Scaffolds and Their Potential Therapeutic Applications	7
Synthesis and Biological Activity Evaluation of Polyfunctionalized Anthraquinonehydrazones	7
Bioactive Isolates of Morus Species as Antibacterial Agents and their In Silico Profiling	6
Chalcones As Potent Agents Against Staphylococcus aureus: A Computational Approach	6
3,4,5-Trisubstituted-1,2,4-triazole Derivatives as Antiproliferative Agents: Synthesis, In vitro Evaluation and Molecular Modelling	6
Molecular Docking, 3D-QSAR, Fingerprint-Based 2D-QSAR, Analysis of Pyrimidine, and Analogs of ALK (Anaplastic Lymphoma Kinase) Inhibitors as an Anticancer Agent	6
Rationale Design, Synthesis, and Pharmacological Evaluation of Isatin Analogues as Antiseizure Agents	5
Assessment of Wine Quality, Traceability and Detection of Grapes Wine, Detection of Harmful Substances in Alcohol and Liquor Composition Analysis	5
Antioxidant, Antimicrobial, and Molecular Docking Studies of Novel Chalcones and Schiff Bases Bearing 1, 4-naphthoquinone Moiety	5
Chitosan: A Promising Protective Component Against SARS-CoV-2 and Influenza Virus	5
Antimicrobials from Medicinal Plants: Key Examples, Success Stories and Prospects in Tackling Antibiotic Resistance	5
Evaluation of Cytotoxic, COX Inhibitory, and Antimicrobial Activities of Novel Isoxazole-carboxamide Derivatives	5
Computational Bioactivity Analysis and Bioisosteric Investigation of the Approved Breast Cancer Drugs Proposed New Design Drug Compounds: Increased Bioactivity Coming with Silicon and Boron	5
Development of Schiff bases from Amikacin: Synthesis, Antibacterial, Anti-urease Activities and Molecular Docking Studies	5
Piperazine-based Semicarbazone Derivatives as Potent Urease Inhibitors: Design, Synthesis, and Bioactivity Screening	5
A Multi-target Approach for the Discovery of Anti Breast Cancer Agents from Plants Secondary Metabolites	5
Anti-cancer Potential of Pleurotus Mushroom: Detailed Insight on the Potential Bioactive Molecules, In vitro-In vivo Studies, and Formulation	5
Gabapentin Antioxidant Derivatives with Anti-Inflammatory and Neuroprotective Potency	5
Ligand-based Pharmacophore Modeling, Molecular Docking and Simulation Studies for the Exploration of Natural Potent Antiangiogenic Inhibitors Targeting Heat Shock Protein 90	5
Synthesis and Studies of Anticancer and Antimicrobial Activity of New Phenylurenyl Chalcone Derivatives	4
Molecular Docking Studies for Protein-Targeted Drug Development in SARS-CoV-2	4
Targeting the HIV-1 Tat and Human Tat Protein Complex through Natural Products: An In Silico Docking and Molecular Dynamics Simulation Approach	4
Design and Synthesis of Novel 5-Arylisoxazole-1,3,4-thiadiazole Hybrids as α-Glucosidase Inhibitors	4
In-silico Studies, Synthesis, and Evaluation of Anti-inflammatory Activity of Novel Pyrimidine Scaffold	4
Design and Study of In Silico Binding Dynamics of Certain Isoxazole Bearing Leads Against Aβ-42 and BACE-1 Loop in Protein Fibrillation	4
Natural Antioxidants of the Underutilized and Neglected Plant Species of Asia and South America	4
Molecular Docking of the Terpenes in Gorgonian Corals to COX-2 and iNOS Enzymes as Anti-Inflammatory	4
Fragment-Based Drug Design, 2D-QSAR and DFT Calculation: Scaffolds of 1, 2, 4, triazolo [1, 5-a] pyrimidin-7-amines as Potential Inhibitors of Plasmodium falciparum Dihydroorotate Dehydrogenase	4
Novel Coronavirus 2019 Outbreak: A Global Epidemic	4
Synthesis and In Vitro Evaluation of Substituted Quinolines as New Apoptosis Inducers and Anticancer Agents: Pharmacophore-based Design	4
4-Aminosalicylic Acid-based Hybrid Compounds: Synthesis and In vitro Antiplasmodial Evaluation	4
Carbonic Anhydrase Inhibition Potential and Some Bioactivities of the Peripherally Tetrasubstituted Cobalt(II), Titanium(IV), Manganese(III) Phthalocyanines	4
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	4
QSAR Model Study of 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole of Cystic- brosis-transmembrane Conductance-regulator Gene Potentiators	4
Progress and Development of Carbazole Scaffold Based as Potential Anti- Alzheimer Agents Using MTDL Approach	4
In Silico Studies of Piperidine Derivatives as Protein Kinase B Inhibitors through 3D-QSAR, Molecular Docking and Molecular Dynamics Simulation	4
Considering the Conception of Nanotechnology Integrated on Herbal Formulation for the Management of Cancer	4
Synthesis, Cytotoxicity, Antioxidant and Antimicrobial Activity of Indole Based Novel Small Molecules	4
The Most Important Medicinal Herbs and Plants in Traditional Chinese and Iranian Medicinal Sciences with Antioxidant Activities	4
Virtual Screening of Chinese Medicine Small Molecule Compounds Targeting SARS-CoV-2 3CL Protease (3CL pro)	4
Synthesis and Antimicrobial Activity of Functional Derivatives of thiazolo[ 2,3-c][1,2,4]triazoles	4
Modifications of Isoalantolactone Leading to Effective Anti-bacterial and Anti-viral Compounds	4
In Silico Drug Design: Development of New Pyrimidine-based Benzothiazole Derivatives, Selective for CDK2	4
Inhibition Profiling of Urease and Carbonic Anhydrase II by High- Throughput Screening and Molecular Docking Studies of Structurally Diverse Organic Compounds	4

QSAR Studies on the IC50 of a Class of Thiazolidinone/Thiazolide Based Hybrids as Antitrypanosomal Agents	4
Determination of Hybrid TSPO Ligands with Minimal Impact of SNP (rs6971) through Molecular Docking and MD Simulation Study	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
Recent Advances in Therapeutic Strategies against Hydatid Cysts using Nanomaterials: A Systematic Review	3
A Novel Combinational Nanodrug Delivery System Induces Synergistic Inhibition of Lung Adenocarcinoma Cells In vitro	3
Molecular Modeling Study for the Evaluation of Natural Compounds as Potential Lanosterol 14α-Demethylase Inhibitors	3
A Review on Synthesis and Biological Potential of Dihydropyridines	3
The Potency of Catechin from Gambir (Uncaria gambir Roxb.) as a Natural Inhibitor of MurA (1UAE) Enzyme: In vitro and In silico studies	3
A Study on Leukemic and Non-small Cell Lung Cancer Efficacy of Novel Isoxazoles Synthesized by Microwave Irradiation	3
QSAR and DFT Studies of Some Tacrine-Hydroxamate Derivatives as Inhibitors of Cholinesterase (AChEs) in the Treatment of Alzheimer's Disease	3
Antimicrobial Evaluation, Molecular Docking and ADME Properties of Indole Amide Derivatives	3
Design, Synthesis, Computational and Biological Evaluation of Two New Series of 1, 3- and 1,6-dihydroxy Xanthone Derivatives as Selective COX-2 Inhibitors	3
QSAR of SARS-CoV-2 Main Protease Inhibitors Utilizing Theoretical Molecular Descriptors	3
Lycopene-Loaded Solid Lipid Nanoparticles: Preparation, Characterization, ROS-Scavenging, and In vitro Anti-Melanogenesis Evaluations	3
Crosstalk between Exosomes and CAFs During Tumorigenesis, Exosomederived Biomarkers, and Exosome-mediated Drug Delivery	3
Molecular Docking and Simulation Binding Analysis of Boeravinone B with Caspase-3 and EGFR of Hepatocellular Carcinoma	3
Synthesis and Enzymological Characterization of Some 2-(Substitutedphenylamino) quinazolin-4(3H)-one Derivatives as Potent α-Glucosidase Inhibitors In Vitro	3
Potential of Caffeic Acid Derivatives as Antimalarial Leads	3
Diagnostic, Prognostic and Therapeutic Potential of Heat Shock Proteins in Schistosomiasis and Bladder Cancer: A Review	3
In Silico ADMET and Docking Studies of Thiazolidinedione-acetic-acid Hybrids as Antidiabetics with Cardioprotection	3
New 4-nitro-imidazole-N-glycinyl-hydrazones Designed as Trypanocidal Analogues of Benznidazole	3
Molecular Simulation Studies of Alpha Pinene, an Alkene in Search for Oxidative Stress Targeted Therapeutic Paradigms for the Treatment of Parkinson’s Disease: A Computational Approach and Its In-Vitr	3
Synthesis, In Silico Pharmacokinetics, and Biological Evaluation of Some New Thiazolidinedione as PPAR-γ Agonists and Antibacterial Agents	3
Antioxidant and ROS Inhibitory Activities of Heterocyclic 2-Aryl-4(3H)-quinazolinone Derivatives	3
Synergy Potential of Ursolic Acid-Based Hybrid Molecules	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
Pharmacophore-based Screening for Identification of Human Acyl-CoA Cholesterol Acyltransferase Inhibitors: An In-silico Study	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	3
Sequence Analysis, Structure Prediction of Receptor Proteins and In Silico Study of Potential Inhibitors for Management of Life Threatening COVID-19	3
A Review on ZnO-based Targeted Drug Delivery System	3
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
Various Carbonic Anhydrases in Physiopathological Events, Carbonic Anhydrase Inhibitors, and Hybrid Compounds	2
Synthesis and Biological Evaluation of Hydroxypropyl Ester of Mefenamic Acid as a Promising Prodrug	2
Design and Efficient Synthesis of Novel 4,5-Dimethylthiazole-Hydrazone Derivatives and their Anticancer Activity	2
Anticancer Tetrahydrocarbazoles: A Wide Journey from 2000 Till Date	2
Boesenbergia Pandurata as an Anti-Breast Cancer Agent: Molecular Docking and ADMET Study	2
3D-QSAR, Docking, and Molecular Dynamics Simulations Studies on Quinazoline Derivatives as PAK4 Inhibitors	2
Preface	2
Preface	2
Identification of Active Phytochemical from Traditional Herbal Knowledge-base Targeting Pantothenate Synthetase for Anti-tuberculosis Therapy	2
Lemongrass Extract Alleviates Oxidative Stress and Delayed the Loss of Climbing Ability in Transgenic Drosophila Model of Parkinson’s Disease	2
Elucidating the Molecular Targets and Mechanisms of Chlorogenic Acid Against Alzheimer’s Disease via Network Pharmacology and Molecular Docking	2
Phytochemical Characterization and Screening of the Anti-Pneumonia (Anti-COVID-19, Anti-Fungal, and Anti-Bacterial) Activities of Cuscuta Campestris Extract	2
Protective Effect of Artemisia absinthium Extract Against Glutamate- Induced Toxicity in PC12 Cells	2
Preparation of Metformin Biodegradable Polymeric Microparticles by O/O Emulsion Solvent Evaporation: A 32 Full Factorial Design Approach	2
Preface	2
Design, Synthesis and Insecticidal Activity of 3-(Ethylsulfonyl)-Pyridines Bearing Trifluoromethyl-Oxadiazole Fragment	2
Sulfonamides and Sulphonyl Ester of Quinolines as Non-Acidic, Non- Steroidal, Anti-inflammatory Agents	2
The Role of Aquatic Plants in Natural Products and Drug Discovery	2
Screening of Phytoconstituents from Traditional Plants against SARSCoV- 2 using Molecular Docking Approach	2
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	2
Angiotensin-Converting Enzyme Inhibition Properties and Antioxidant Effects of Plants and their Bioactive Compounds as Cardioprotective Agent	2
Anti-cancerous Properties of the Synthesized Substituted Chromene Compounds and their Pharmacological Activities	2
Designing of Anticancer Therapeutical Strategies: Implications of Molecular Docking Studies of Phytochemicals of Cichorium Intybus to Metabolic Regulatory Enzymes	2
Docking Study on Caspase 3 Inhibitors As Potential Drugs For Traumatic Brain Cell Apoptosis	2
Exploring Nature’s Treasure for Drug Discovery	2
Design, Synthesis and Biological Evaluation of 3-(2-(benzo[d]thiazol-2- ylthio)acetamido)benzoic Acid Derivatives as Inhibitors of Protein Tyrosine Phosphatase 1B	2
In Silico Studies to Develop New GSK3β Inhibitors Effective in the Alzheimer's Disease	2
Identification of Natural Compounds with Analgesic and Antiinflammatory Properties Using Machine Learning and Molecular Docking Studies	2
In silico Identification of HDAC Inhibitors for Multiple Myeloma: A Structure-based Virtual Screening, Drug Likeness, ADMET Profiling, Molecular Docking, and Molecular Dynamics Simulation Study	2
A Network Pharmacology Guided Mechanism of Action Study on Oldenlandia diffusa Against Osteosarcoma	2
Structural Investigations of Aroylindole Derivatives through 3D-QSAR and Multiple Pharmacophore Modeling for the Search of Novel Colchicines Inhibitor	2
Microwave-assisted Synthesis of Novel Mannich Base and Conazole Derivatives Containing Biologically Active Pharmacological Groups	2
Computer-aided Structural and Molecular Insights into the Mechanisms by which Pseudouridimycin (PUM) Disrupts Cleft Extension in Bacterial RNA Polymerase to Block DNA Entry and Exit	2
Some New 1,2,4-triazole Derivatives Bearing the Pyrimidine Moiety as Potential Antimycobacterial Agents: Synthesis and Docking Analysis	2
Description and In silico ADME Studies of US-FDA Approved Drugs or Drugs under Clinical Trial which Violate the Lipinski’s Rule of 5	2
Synthesis and In silico Studies of Quinazolinone Derivatives as PARP-1 Inhibitors	2
Triamcinolone as a Potential Inhibitor of SARS-CoV-2 Main Protease and Cytokine Storm: An In silico Study	2
An Overview of Tetramethylpyrazine (Ligustrazine) and its Derivatives as Potent Anti-Alzheimer’s Disease Agents	2
Regulation of Exosomes-Mediated circNR4A1 on Chemoresistance and Biological Effects of Oral Squamous Cell Carcinoma Cells	2
Structure-based Virtual Screening of Natural Compounds as Potential Anti-Allergy Agents Against Cytokine Alarmins (TSLP and IL-33)	2
Virtual Screening Attributes Male Biased COVID-19 Mortality to Predicted Antiviral Activity of Female Sex Hormones	2
First Multigram Scale-Up and Synthesis of Novel Valerolactam- Benzimidazole Hybrid Anthelmintic	2
Novel Benzotriazole Acetamide Derivatives as Benzo-Fused Five- Membered Nitrogen-Containing Heterocycles - In silico Screening, Molecular Docking, and Synthesis	2
Drug Repurposing Using Similarity-based Target Prediction, Docking Studies and Scaffold Hopping of Lefamulin	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
Topomer CoMFA and HQSAR Study on Benzimidazole Derivative as NS5B Polymerase Inhibitor	2
Novel 1,2-Thiazine-Pyridine Hybrid: Design, Synthesis, Antioxidant Activity and Molecular Docking Study	2
Investigating the Mechanism of Action of Frankincense against Drug- Induced Liver Injury Using Network Pharmacology and Molecular Docking	2
A Comparative Study of Binding Interactions of Natural Flavonoids and Conventional Drug Donepezil for Multiple Alzheimer's Disease Targets Using In silico Approach	1

Formulation Development and Assessment of Solid Dispersion and Hydrotropy for BCS Class II Drug Solubility Enhancement	1
Landscape Determinants of Infectivity and Insights into Vaccine Development and Effectiveness - Novel Coronavirus	1
An Estimation of Baricitinib by AQbD-driven UV Spectrophotometry Development and Validation Process	1
Antimicrobial Activities of Substituted 4-N-alkylated-2-trifluoromethylquinoline Analogs Against Nontuberculous Mycobacteria	1
Optimization of Pharmacophore of Novel Hybrid Nucleus of 1,3,4- oxadiazole-chalcone using Literature Findings and In silico Approach as EGFR Inhibitor	1
Exploring Nature’s Treasure to Inhibit β-Barrel Assembly Machinery of Antibiotic Resistant Bacteria: An In silico Approach	1
Synthesis, Docking Studies, and Biological Evaluation of Betti Bases as Promising Anti-tubercular Agents	1
Design and Optimization of Sustained-Release Trihexyphenidyl Hydrochloride Nanoparticles: Design of the Experiment Approach	1
A Study of Ungernia trisphaera Bunge and Thymus transcaspicus Cytotoxicity in Cancer Cell Lines	1
Saponins-uptake and Targeting Issues for Brain-specific Delivery for Enhanced Cell Death Induction in Glioblastoma	1
Thiazole Derivatives as RORγt Inhibitors: Synthesis, Biological Evaluation, and Docking Analysis	1
In silico Repurposing of Anticancer Drug (5-Fluorouracil) as an Antibacterial Agent against Klebsiella pneumoniae	1
Discovery of Novel Cytochrome bc1 Complex Inhibitor Based on Natural Product Neopeltolide	1
Synthesis, Molecular Docking Studies, and In vitro Anticancer Evaluation of Novel Tolfenamic Acid Derivatives	1
Expanding Opportunities in Treatment of Leukemia by Solid Lipid Nanoparticles	1
1,2,4 Triazoles and 1,2,4 Oxadiazoles Scaffold as SGLT2 Inhibitors: Molecular Docking and ADMET Studies	1
Acute and Subchronic Treatment of Roasted and Unroasted Argan Oil on Postprandial Glycemia and Its Effect on Glucose Uptake by Isolated Rat Hemidiaphragm	1
Morelloflavone as Potential Anticancer Agent Against MCF-7 Breast Cancer Cell Lines: In vitro and In silico Studies	1
Formulation and Optimization of Trandolapril Oro-dispersible Tablets using the Quality by Design (QbD) Approach	1
Identification of Novel Nrf2 Activator via Protein-ligand Interactions as Remedy for Oxidative Stress in Diabetes Mellitus	1
Implementation of PLGA-based Nanoparticles for Treatment of Colorectal Cancer	1
Computational Drug Shifting Towards Drug-Drug Conjugates and Monoclonal Antibody Conjugates in the Contradictory Excursion of Asthma	1
The Anti-inflammatory Mechanism of Tauroursodeoxycholic Acid based on Network Pharmacology and Molecular Docking	1
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	1
Synthesis, Characterization and ADME Prediction Study of Heterocyclic Moieties-linked Indole Derivatives as Potential Antimicrobial Agents	1
Potential Inhibition of COVID-19 RNA-dependent RNA Polymerase by Hepatitis C Virus Non-nucleoside Inhibitors: An In-silico Perspective	1
Synthesis, Design and Anti-inflammatory Activity of Novel 5-(Indol-3-yl)thiazolidinone Derivatives as COX-2 Inhibitors	1
A Computational Molecular Docking Studies on the Tryparedoxin Peroxidase of Leishmania donovani Responsible for Visceral Leishmaniasis in Human	1
Synthesis of PF-543 Derivatives Using Simple Synthetic Methods and Their Biological Effect Analysis for the Development of Anticolorectal Cancer Agents	1
In-silico Identification and Analysis of Hub Proteins for Designing Novel First-line Anti-seizure Medications	1
Remifentanil and Propofol Co-loaded Nanoemulsion: Formulation Development and In vivo Pharmacodynamic Evaluation	1
In Silico Evaluation of Some Commercially Available Flavonoids as Galactofuranoyltransferase- 2 Inhibitors in the Management of Tuberculosis	1
Screening Active Phytochemicals of Some Ayurvedic Medicinal Plants to Identify Potential Inhibitors against SARS-CoV-2 Mpro by Computational Investigation	1
New Imidazo[1,2-a]pyridin-2-yl Derivatives as AChE, BChE, and LOX Inhibitors; Design, Synthesis, and Biological Evaluation	1
A QSAR Study of Peptidyl Vinyl Sulfone Cysteine Protease Inhibitors Using Topomer CoMFA and Molecular Docking	1
In silico Analysis of Single Nucleotide Polymorphisms Associated with MicroRNA Regulating 5-fluorouracil Resistance in Colorectal Cancer	1
Role of Docking in Anticancer Drug Discovery	1
Preparation of Levothyroxine Transdermal Gels and Preliminary Pharmacokinetic Study in Hypothyroidism Rat Model	1
Self-assembling Peptides (SAPs) as Powerful Tools for the Preparation of Antimicrobial and Wound-Healing Nanostructures	1
Design, Synthesis, and Anti-tuberculosis Activity of Streptomycin Derivatives	1
Affinity Prediction of Shikonins Towards Sirtuins and the Requisite Structural Motifs for the Selective Inhibition of SIRT2 and SIRT3	1
Application of Nanotechnology for Herbal Medicine Development: A Review	1
Selection of Active Antiviral Compounds Against COVID-19 Disease Targeting Coronavirus Endoribonuclease Nendou/NSP15 Via Ligandbased Virtual Screening and Molecular Docking	1
Design of Oleanolic Acid-based Hybrid Compounds as Potential Pharmaceutical Scaffolds	1
Identification of Novel PPAR-β/δ Agonists from Kaempferol, Quercetin, and Resveratrol Derivatives by Targeting Cancer: An Integrative Molecular Docking and Dynamics Simulation Approach	1
Graviola Protects Against Hepatic Toxicity Associated with DMBA induced Breast Cancer via Restoration of Antioxidants and Attenuation of Inflammatory Pathways	1
Natural Chemical Entities as Bioactive Moiety from Weaver Ant, Oecophylla smaragdina: An In Vitro and In-silico Study	1
Design and Characterisation of Rosuvastatin Calcium Nanosuspension Loaded Transdermal Patch	1
Nitrogen-containing Heterocyclic Derivatives of 1,3-Thiazolidine-2,4- Diones as Dual Anti-inflammatory and Anti-oxidant Agents and their Docking Studies	1
Unveiling the Anti-tubercular Properties of Biscoumarins, through Biological Evaluation and Docking Studies	1
Tyrosinase Inhibition by Novel Benzimidazole-thione Schiff Base Derivatives	1
A Brief Study on Drug Repurposing: New Way of Boosting Drug Discovery	1
Virtual Screening Based Discovery of PTP1B Inhibitors and Their Biological Evaluations	1
Design, Synthesis, and Insecticidal Evaluation of New Benzoylureas Containing Carbamate Groups Based on the Bipartite Model of Sulfonylurea Receptor Binding Site	1
Phytosomal Curcumin and Shilajit Decrease Adhesion Bands Post-achilles Tendon Surgery in Animal Model	1
Existing Drug Repurposing for Glioblastoma to Discover Candidate Drugs as a New a Approach	1
Assessment of Wound Healing Potential of Simvastatin Emulgel in Rat Excision Wound Model	1
Perillaldehyde Building Block’s Derivatives: Targeted Bioactivities and Molecular Docking	1
Assessment of Antioxidant, Antimicrobial, and Acute Toxicology Profiles of Cordia rothii and Viola serpens	1
Modified Release of Acetaminophen from Matrix Tablet Formulations: Influence of Tablet Geometry	1
Synthesis of Ethyl Methyl 4-aryl-1,4-dihydropyridine-3,5-dicarboxylates as Potential Calcium Channel Blockers for Hypertension	1
Predicting Binding Affinity Between MHC-I Receptor and Peptides Based on Molecular Docking and Protein-peptide Interaction Interface Characteristics	1
A Review on Hepatoprotective Effects of Some Medicinal Plant Oils	1
Synthesis and Docking Study of Some Bioactive N-(benzo[d]thiazol-2-yl)- 2-(4-((substituted)phenoxy)acetamide on Cyclo-oxygenase-2 Enzyme and In vivo Analgesic Activity Evaluation	1
Rheum khorasanicum Decreases Migration and Induces Apoptosis in the MDA-MB-231 Breast Cancer Cell Line	1
Determination of Binding Potential of HCV Protease Inhibitors Against to SARS-CoV-2 Papain-like Protease wtih Computational Docking	1
Curbing Key Digestive Enzymes by Three Plant Extracts for Sustainable Management of Postprandial Hyperglycemia	1
Computational Screening for Finding New Potent COX-2 Inhibitors as Anticancer Agents	1
Novel S-Mercaptotriazolebenzothiazole-Based Derivatives as Antimicrobial Agents: Design, Synthesis, and In Vitro Evaluation	1
In Silico Based Structural and Fingerprint Analysis of Structurally Diverse AT1 inhibitors	1
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	1
In-silico Binding, Stability, Pharmacokinetics, and Toxicity Studies on Natural (-)-ambrox Metabolites as Binding Ligands to Luminal B and Triple-negative/basal-like Proteins for Breast Cancer	1
The Importance of Neglected and Underutilized Medicinal Plants from South America in Modern Pharmaceutical Sciences	1
In silico Design of Novel SAM Analogs as Potential Inhibitors Against N2G966 16s rRNA Methyltransferase (RsmD)	1
The Anticancer Potentials of Substituted Indeno[1,2-b]quinoline Amines against HT29 and SW620: Experimental and In silico Approach	1
Screening of Natural Compounds Against SOD1 as a Therapeutic Target for Amyotrophic Lateral Sclerosis	1
Synthesis, Characterization, DPPH, Ferric Reducing, and Ferrous Ion- Chelating Activities of Isophthalate Schiff Bases	1
Association of SARS-CoV-2 Infection and Triple Negative Breast Cancer (TNBC) A Computational Illustrative Study	1
Fragment-based Drug Design of Antitumoral Molecules Polo-like Kinase 1 Inhibitors: In-silico Approach	1
Discovery of Structural Prospects of Imidazo[1,5-a]pyrazine Derivatives as BTK Inhibitors Against Cancer: A Computational Study	1
Immunoinformatic Approach for the Identification of Potential Epitopes Against Stenotrophomonas maltophilia: A Global Opportunistic Pathogen	1
Triazolylthioacetamides Confer Inhibitory Efficacy against Metallo-β- Lactamase IMP-1	1
Design, Synthesis, and Anti-Bacterial Evaluation of Tetrahydrobenzothiophene Derivatives as Lipopolysaccharide Biogenesis Inhibitors	1
Mesalamine may be a Plausible Therapeutic Agent for the Management of Diabetic Wounds: A Computational Approach	1
Synthesis of New Bis-pyrazolines Endowed with Potent Antifungal Activity against Candida albicans and Aspergillus niger	1
Study on the Mechanism of Sanqi in the Treatment of Disseminated Intravascular Coagulation-Based on Network Pharmacology and Molecular Docking Technology	1
Aminoquinoline-triazine Conjugates: Design, Synthesis, Antibacterial Activity, and SAR Analysis	1
Bioinformatic Screening of Compounds from Iranian Lamiaceae Family Members against SARS-CoV-2 Spike Protein	1
A Novel Design of Multi-epitope Peptide Vaccine Against Pseudomonas aeruginosa	1
Preparation and Physicochemical Properties of a Thermosensitive Hydrogel-based Lipopeptide Biosurfactant	1
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	1
Molecular Dynamic Simulation and 3d-pharmacophore Modeling of Alpha Mangostin and Its Derivatives against Estrogen Alpha Receptor	1
Homology Modelling, Docking-based Virtual Screening, ADME Properties, and Molecular Dynamics Simulation for Identification of Probable Type II Inhibitors of AXL Kinase	1
Comparative QSAR Modeling for Predicting Anticancer Potency of Imidazo[4,5-b]Pyridine Derivatives Using GA-MLR and BP-ANN Techniques	1
Docking and Pharmacokinetic Studies for Screening Terpenoids from Erythroxylum Species as Anticancer Agents	1