Letters in Drug Design & Discovery

Article	Citations
Aminoalkylated Phenolic Chalcones: Investigation of Biological Effects on Acetylcholinesterase and Carbonic Anhydrase I and II as Potential Lead Enzyme Inhibitors	34
The New Era of Drug Discovery: The Power of Computer-aided Drug Design (CADD)	25
Combinatorics, Big Data, Neural Network & AI for Medicinal Chemistry & Drug Administration	21
Phytoestrogens as Potential Antiandrogenic Agents Against Prostate Cancer: An In Silico Analysis	18
Design, Synthesis, and Anticancer Potential of the Enzyme (PARP-1) Inhibitor with Computational Studies of New Triazole, Thiazolidinone, - Thieno [2, 3-d] Pyrimidinones	17
Synthesis, Antimicrobial Activity, and Molecular Modeling Studies of Some Benzoxazole Derivatives	17
In Silico Identification of New Anti-SARS-CoV-2 Agents from Bioactive Phytocompounds Targeting the Viral Spike Glycoprotein and Human TLR4	15
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	14
Synthesis and Anticancer Activities of Novel Bis-chalcones Incorporating the 1,3-diphenyl-1H-pyrazole Moiety: In Silico and In Vitro Studies	13
Survey on Medicinal Plants and Herbs in Traditional Iranian Medicine with Anti-oxidant, Anti-viral, Anti-microbial, and Anti-inflammation Properties	11
Recent Advances in Drug Design and Delivery Across Biological Barriers Using Computational Models	11
Molecular Docking Analysis of Flavonoid Compounds with Matrix Metalloproteinase- 8 for the Identification of Potential Effective Inhibitors	11
Chalcones and Bis-Chalcones Analogs as DPPH and ABTS Radical Scavengers	11
Synthesis, Characterization, Antimicrobial, Anti-tubercular, Antioxidant Activities and Docking Simulations of Derivatives of 2-(pyridin-3-yl)-1Hbenzo[ d]imidazole and 1,3,4-Oxadiazole Analogy	10
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	10
Microwave Assisted, Antimicrobial Activity and Molecular Modeling of Some Synthesized Newly Pyrimidine Derivatives Using 1, 4-diazabicyclo[2.2.2]octane as a Catalyst	10
In-silico Study to Identify Dietary Molecules as Potential SARS-CoV-2 Agents	10
New Chalcone Derivatives with Pyrazole and Sulfonamide Pharmacophores as Carbonic Anhydrase Inhibitors	9
Prediction of Inhibition Activity of BET Bromodomain Inhibitors using Grid Search-Based Extreme Learning Machine and Molecular Docking	9
Cephalosporin Conjugated Sulfonamides: Synthesis, Characterization and Anticancer Activities	8
Indole Curcumin Reverses Multidrug Resistance by Reducing the Expression of ABCB1 and COX2 in Induced Multidrug Resistant Human Lung Cancer Cells	8
In silico Screening of Phytoconstituents with Antiviral Activities Against SARS-COV-2 Main Protease, Nsp12 Polymerase, and Nsp13 Helicase Proteins	8
Molecular Docking: Principles, Advances, and Its Applications in Drug Discovery	8
Repurposing FDA-approved Drugs Targeting SARS-CoV2 3CLpro: A Study by Applying Virtual Screening, Molecular Dynamics, MM-PBSA Calculations and Covalent Docking	8
In Silico Anticancer Evaluation, Molecular Docking and Pharmacophore Modeling of Flavonoids against Various Cancer Targets	8

Repurposing of Drugs and HTS to Combat SARS-CoV-2 Main Protease Utilizing Structure-Based Molecular Docking	8
Synthesis and Biological Activity Evaluation of Polyfunctionalized Anthraquinonehydrazones	7
Exploration of Luteolin as Potential Anti-COVID-19 Agent: Molecular Docking, Molecular Dynamic Simulation, ADMET and DFT Analysis	7
Preliminary Identification of Hamamelitannin and Rosmarinic Acid as COVID-19 Inhibitors Based on Molecular Docking	7
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	7
Synthesis and Biological Evaluation of Benzodioxol Derivatives as Cyclooxygenase Inhibitors	7
Novel Coronavirus (COVID-19) Outbreak: Hope and Search for Effective Therapeutic Agent	7
Synthesis of Chrysin, Quercetin and Naringin Nitroderivatives: Antiproliferative, Anti-inflammatory and Antioxidant Activity	7
Evaluation of Kaempferol as AKT Dependent mTOR Regulator via Targeting FKBP-12 in Hepatocellular Carcinoma: An In silico Approach	7
Docking and 3D-QSAR Studies of Hydrazone and Triazole Derivatives for Selective Inhibition of GRK2 over ROCK2	7
A Series of Furan-based Hydrazones: Design, Synthesis, and Evaluation of Antimicrobial Activity, Cytotoxicity and Genotoxicity	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
Natural Sesquiterpene Lactones in the Prevention and Treatment of Inflammatory Disorders and cancer: A Systematic Study of this Emerging Therapeutic Approach based on Chemical and Pharmacological Aspe	6
Evaluation of Cytotoxic, COX Inhibitory, and Antimicrobial Activities of Novel Isoxazole-carboxamide Derivatives	6
Bioactive Isolates of Morus Species as Antibacterial Agents and their In Silico Profiling	6
A Multi-target Approach for the Discovery of Anti Breast Cancer Agents from Plants Secondary Metabolites	5
Neuroprotective and Neuroregenerative Effects of Shikonin-mediated Inhibition of NF-κB/Stat3 in Alcoholic Encephalopathy	5
(Substituted)-benzo[b]thiophene-4-carboxamide Synthesis and Antiproliferative Activity Study	5
Design, Synthesis, In vitro and In silico Evaluation of New Hydrazonebased Antitumor Agents as Potent Akt Inhibitors	5
Searching for Potential HDAC2 Inhibitors: Structure-activity Relationship Studies on Indole-based Hydroxamic Acids as an Anticancer Agent	5
Synthesis, Biological Evaluation, and Docking Analysis of Novel Tetrahydrobenzothiophene Derivatives	5
Optimized Synthesis and Cytotoxic Activity of α-Aminophosphonates Against a Multidrug Resistant Uterine Sarcoma Cell Line	5
Chitosan: A Promising Protective Component Against SARS-CoV-2 and Influenza Virus	5
Synthesis of Spiro[cycloalkane-pyridazinones] with High Fsp3 Character	5
The Importance of Salicylic Acid, Humic Acid and Fulvic Acid on Crop Production	5
Gingerol Derivatives as 14α-demethylase Inhibitors: Design and Development of Natural, Safe Antifungals for Immune-compromised Patients	5
Lead Molecules as Novel Aromatase Inhibitors: In Silico De Novo Designing and Binding Affinity Studies	5
Current Strategies and Approaches in Combating SARS-CoV-2 Virus that Causes COVID-19	5
Synthesis of Limonin Derivatives with Improved Anti-inflammatory and Analgesic Properties	5
Design, Synthesis and Antifungal Activity of Novel 1-(Adamantan-1-yl) ethanone Oxime Esters	4
Antimicrobials from Medicinal Plants: Key Examples, Success Stories and Prospects in Tackling Antibiotic Resistance	4
Synthesis and In Vitro Biological Activity Evaluation of Novel Imidazo [2,1-B][1,3,4] Thiadiazole as Anti-Alzheimer Agents	4
New Hydrazone Derivatives of Pyrazole-4-carboxaldehydes Exhibited Anti-inflammatory Properties	4
Computational Bioactivity Analysis and Bioisosteric Investigation of the Approved Breast Cancer Drugs Proposed New Design Drug Compounds: Increased Bioactivity Coming with Silicon and Boron	4
Gabapentin Antioxidant Derivatives with Anti-Inflammatory and Neuroprotective Potency	4
Novel Coronavirus 2019 Outbreak: A Global Epidemic	4
Nitric Oxide Synthases and Their Inhibitors: A Review	4
Facile Synthesis of 6-Phenyl-6h-chromeno [4, 3-b] Quinoline Derivatives using NaHSO4@SiO2 Re-usable Catalyst and Their Antibacterial Activity Study Correlated by Molecular Docking Studies	4
Synthesis, Docking, in silico ADMET and Pharmacological Evaluation of Some N-acetyl Pyrazole and Quinoline Conjugates	4
Fingerprint-based 2D-QSAR Models for Predicting Bcl-2 Inhibitors Affinity	4
Synthesis, In vitro and In silico Evaluation of a Series of Pyrazolines as New Anticholinesterase Agents	4
Rational Design of Hyper-glycosylated Human Chorionic Gonadotropin Analogs (A Bioinformatics Approach)	4
Development of Schiff bases from Amikacin: Synthesis, Antibacterial, Anti-urease Activities and Molecular Docking Studies	4
New Hybrids Derived from the Natural Compound (-)-β-Pinene and Amides or Acylthioureas as Antitumor Agents	4
The 2019 Novel Coronavirus (COVID-19) Outbreak in China and World: A New Lesson for Public Health System	4
Discovery of New N-hydrazinecarbothioamide Indazole Hybrids: As Potential Radical (ABTS and DPPH) Scavengers	4
Molecular Docking Studies for Protein-Targeted Drug Development in SARS-CoV-2	4
3,4,5-Trisubstituted-1,2,4-triazole Derivatives as Antiproliferative Agents: Synthesis, In vitro Evaluation and Molecular Modelling	4
Rationale Design, Synthesis, and Pharmacological Evaluation of Isatin Analogues as Antiseizure Agents	4
In Silico Drug Design: Development of New Pyrimidine-based Benzothiazole Derivatives, Selective for CDK2	4

Diversified Thiazole Substituted Coumarins and Chromones as Non- Cytotoxic ROS and NO Inhibitors	4
Anti-cancer Potential of Pleurotus Mushroom: Detailed Insight on the Potential Bioactive Molecules, In vitro-In vivo Studies, and Formulation	4
Synthesis, Antibacterial Activity and Molecular Docking Studies of New Pyrazole Derivatives	4
Importance of Thymoquinone, Sulforaphane, Phloretin, and Epigallocatechin and their Health Benefits	4
In vitro and In Vivo Evaluation of Quinoxaline 1,4-di-N-oxide Against Giardia lamblia	4
Potential of Caffeic Acid Derivatives as Antimalarial Leads	3
Azacyanines as Novel Topoisomerase II Alpha Inhibitors	3
Tetralone Scaffolds and Their Potential Therapeutic Applications	3
Synthesis of New 4-Chloro-6-Methylpyrimidin-2-yl-Aminophosphonates as Potential DU145 and A549 Cancer Cell Inhibitors	3
Synthesis and Evaluation of α-Asaronol Esters with LDH and GABAA Receptor Modulation as Anticonvulsant Agents	3
Ligand-based Pharmacophore Modeling, Molecular Docking and Simulation Studies for the Exploration of Natural Potent Antiangiogenic Inhibitors Targeting Heat Shock Protein 90	3
Synthesis, Cytotoxicity, Antioxidant and Antimicrobial Activity of Indole Based Novel Small Molecules	3
Targeting the HIV-1 Tat and Human Tat Protein Complex through Natural Products: An In Silico Docking and Molecular Dynamics Simulation Approach	3
Design and Synthesis of Novel 5-Arylisoxazole-1,3,4-thiadiazole Hybrids as α-Glucosidase Inhibitors	3
Design and Study of In Silico Binding Dynamics of Certain Isoxazole Bearing Leads Against Aβ-42 and BACE-1 Loop in Protein Fibrillation	3
QSAR Model Study of 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole of Cystic- brosis-transmembrane Conductance-regulator Gene Potentiators	3
Progress and Development of Carbazole Scaffold Based as Potential Anti- Alzheimer Agents Using MTDL Approach	3
A Study on Leukemic and Non-small Cell Lung Cancer Efficacy of Novel Isoxazoles Synthesized by Microwave Irradiation	3
Synthesis, In Silico Pharmacokinetics, and Biological Evaluation of Some New Thiazolidinedione as PPAR-γ Agonists and Antibacterial Agents	3
Antioxidant, Antimicrobial, and Molecular Docking Studies of Novel Chalcones and Schiff Bases Bearing 1, 4-naphthoquinone Moiety	3
Carbonic Anhydrase Inhibition Potential and Some Bioactivities of the Peripherally Tetrasubstituted Cobalt(II), Titanium(IV), Manganese(III) Phthalocyanines	3
QSAR Studies on the IC50 of a Class of Thiazolidinone/Thiazolide Based Hybrids as Antitrypanosomal Agents	3
Pharmacophore-based Screening for Identification of Human Acyl-CoA Cholesterol Acyltransferase Inhibitors: An In-silico Study	3
The Most Important Medicinal Herbs and Plants in Traditional Chinese and Iranian Medicinal Sciences with Antioxidant Activities	3
4-Aminosalicylic Acid-based Hybrid Compounds: Synthesis and In vitro Antiplasmodial Evaluation	3
Synthesis and In Vitro Evaluation of Substituted Quinolines as New Apoptosis Inducers and Anticancer Agents: Pharmacophore-based Design	3
Natural Antioxidants of the Underutilized and Neglected Plant Species of Asia and South America	3
Carbon Nanotubes Enhance the Chemotherapy Sensitivity of Tumors with Multidrug Resistance	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
The Potency of Catechin from Gambir (Uncaria gambir Roxb.) as a Natural Inhibitor of MurA (1UAE) Enzyme: In vitro and In silico studies	3
Piperazine-based Semicarbazone Derivatives as Potent Urease Inhibitors: Design, Synthesis, and Bioactivity Screening	3
QSAR Studies of Sulfonamide Hydroxamates Derivatives as MMP-2 Inhibitors Topomer CoMFA and Molecular Docking	3
Synthesis and Enzymological Characterization of Some 2-(Substitutedphenylamino) quinazolin-4(3H)-one Derivatives as Potent α-Glucosidase Inhibitors In Vitro	3
Design of New Therapeutic Agents Targeting FLT3 Receptor Tyrosine Kinase Using Molecular Docking and 3D-QSAR Approach	3
A Novel Combinational Nanodrug Delivery System Induces Synergistic Inhibition of Lung Adenocarcinoma Cells In vitro	3
Virtual Screening of Chinese Medicine Small Molecule Compounds Targeting SARS-CoV-2 3CL Protease (3CL pro)	3
Assessment of Wine Quality, Traceability and Detection of Grapes Wine, Detection of Harmful Substances in Alcohol and Liquor Composition Analysis	3
Inhibition Profiling of Urease and Carbonic Anhydrase II by High- Throughput Screening and Molecular Docking Studies of Structurally Diverse Organic Compounds	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	2
Preface	2
Preparation of Metformin Biodegradable Polymeric Microparticles by O/O Emulsion Solvent Evaporation: A 32 Full Factorial Design Approach	2
Application of Topological Descriptors in QSAR Modeling: Substituted Hydrazones Used As a Model System	2
Screening of Phytoconstituents from Traditional Plants against SARSCoV- 2 using Molecular Docking Approach	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
Anti-inflammatory Augmentation Therapy in Obsessive-compulsive Disorder: A Review	2
Synthesis and Biological Evaluation of Hydroxypropyl Ester of Mefenamic Acid as a Promising Prodrug	2
Cytotoxic Activity and DNA Binding Property of New Aminopyrimidine Derivatives	2
QSAR and DFT Studies of Some Tacrine-Hydroxamate Derivatives as Inhibitors of Cholinesterase (AChEs) in the Treatment of Alzheimer's Disease	2
Synthesis and Antimicrobial Activity of Functional Derivatives of thiazolo[ 2,3-c][1,2,4]triazoles	2
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	2
Boesenbergia Pandurata as an Anti-Breast Cancer Agent: Molecular Docking and ADMET Study	2
Molecular Docking of 4-ethoxychalcones on Oxidoreductase/Pirin Inhibitors and Cytotoxic Evaluation on Breast/Skin Cancer Cell Lines	2
Modifications of Isoalantolactone Leading to Effective Anti-bacterial and Anti-viral Compounds	2
Antimicrobial Evaluation, Molecular Docking and ADME Properties of Indole Amide Derivatives	2
Novel Benzotriazole Acetamide Derivatives as Benzo-Fused Five- Membered Nitrogen-Containing Heterocycles - In silico Screening, Molecular Docking, and Synthesis	2
Molecular Docking and Simulation Binding Analysis of Boeravinone B with Caspase-3 and EGFR of Hepatocellular Carcinoma	2
Lemongrass Extract Alleviates Oxidative Stress and Delayed the Loss of Climbing Ability in Transgenic Drosophila Model of Parkinson’s Disease	2
Topomer CoMFA and HQSAR Study on Benzimidazole Derivative as NS5B Polymerase Inhibitor	2
Comparative Proteome Analysis of Mycobacterium Tuberculosis Strains - H37Ra, H37Rv, CCDC5180, and CAS/NITR204: A Step Forward to Identify Novel Drug Targets	2
Synthesis and Cytotoxicity of New Mannich Bases of 6-[3-(3,4,5-Trimetoxyphenyl)-2- propenoyl]-2(3H)-Benzoxazolone	2
QSAR of SARS-CoV-2 Main Protease Inhibitors Utilizing Theoretical Molecular Descriptors	2
Effect of Cabergoline on Cognitive Impairments in Transgenic Drosophila Model of Parkinson’s Disease	2
Development of Novel Glitazones as Antidiabetic Agents: Molecular Design, Synthesis, Evaluation of Glucose Uptake Activity and SAR Studies	2
Diagnostic, Prognostic and Therapeutic Potential of Heat Shock Proteins in Schistosomiasis and Bladder Cancer: A Review	2
Novel Benzimidazole Derivatives: Cytotoxic and Apoptotic Properties on Lung Cancer Cell Line	2
Microwave-assisted Synthesis of Novel Mannich Base and Conazole Derivatives Containing Biologically Active Pharmacological Groups	2
In Silico ADMET and Docking Studies of Thiazolidinedione-acetic-acid Hybrids as Antidiabetics with Cardioprotection	2
Design, Synthesis, Docking and Computational Pharmacokinetic Profiling of New Pyrazolinyl Thiazolinone Biheterocycles as Potent Antimicrobial Agents	2
In Silico Studies of Piperidine Derivatives as Protein Kinase B Inhibitors through 3D-QSAR, Molecular Docking and Molecular Dynamics Simulation	2
Synergy Potential of Ursolic Acid-Based Hybrid Molecules	2
Studies on the IC50 of Metabolically Stable 1-(3,3-diphenylpropyl)- piperidinyl Amides and Ureas as Human CCR5 Receptor Antagonists Based on QSAR	2
In-silico Studies, Synthesis, and Evaluation of Anti-inflammatory Activity of Novel Pyrimidine Scaffold	2
Synthesis, Characterization, and Molecular Docking Studies of N-Acylated Butyro and Valerolactam Derivatives with Antiproliferative and Cytotoxic Activities	2
3D-QSAR Studies on 4,5-Dihydro-1H-pyrazolo [4,3-h] Quinazolines as Plk-1, CDK2/A and Aur-A Serine/Threonine Kinase Inhibitors	2
3D-QSAR, Docking, and Molecular Dynamics Simulations Studies on Quinazoline Derivatives as PAK4 Inhibitors	2
First Multigram Scale-Up and Synthesis of Novel Valerolactam- Benzimidazole Hybrid Anthelmintic	2
Antioxidant and ROS Inhibitory Activities of Heterocyclic 2-Aryl-4(3H)-quinazolinone Derivatives	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
Design, Synthesis and Insecticidal Activity of 3-(Ethylsulfonyl)-Pyridines Bearing Trifluoromethyl-Oxadiazole Fragment	2
Virtual Screening and In Silico Simulation Analysis for Rapid and Efficient Identification of Novel Natural GPR40 Agonist	2

Sulfonamides and Sulphonyl Ester of Quinolines as Non-Acidic, Non- Steroidal, Anti-inflammatory Agents	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
Lapatinib as a Dual Tyrosine Kinase Inhibitor Unexpectedly Activates Akt in MDA-MB-231 Triple-Negative Breast Cancer Cells	2
Synthesis, In Silico and In Vivo Evaluation of Novel 1, 3, 4-Thiadiazole Analogues as Novel Anticancer Agents	2
A Review on Robust Computational Approaches Based Identification and Authentication of Herbal Raw Drugs	2
Synthesis of Novel 3-(4-tert-Butylphenyl)-5-Cylopropyl-4H-1,2,4-Triazole Derivatives with Antioxidative and Antimicrobial Activities	2
Comparison in the Glucose Response of Flexible Liposomes Loaded with Insulin with the Addition of Different Surfactants in an Experimental Diabetes Model	2
In Silico ADME and QSAR Studies on a Set of Coumarin Derivatives As Acetylcholinesterase Inhibitors Against Alzheimer’s Disease: CoMFA, CoMSIA, Topomer CoMFA, and HQSAR	2
Effect of Steroidal Hormone Pregnenolone on Proliferation and Differentiation of MC3T3-E1 Osteoblast like Cells	2
Synthesis, Molecular Docking and α-Glucosidase Inhibitory Activity Study of 2,4,6-triaryl Pyrimidine Derivatives	2
Antiglycation Activity of N, N-Diethylthiobarbiturates Derivatives	2
Determination of Hybrid TSPO Ligands with Minimal Impact of SNP (rs6971) through Molecular Docking and MD Simulation Study	2
High Anti-cancer Activity, Low Animal Toxicity, and Structure Activity Relationships of Curcumin Analogs	2
Molecular Docking of the Terpenes in Gorgonian Corals to COX-2 and iNOS Enzymes as Anti-Inflammatory	2
Preface	2
Preface	2
In Silico Studies to Develop New GSK3β Inhibitors Effective in the Alzheimer's Disease	2
Chalcones As Potent Agents Against Staphylococcus aureus: A Computational Approach	2
Virtual Screening Attributes Male Biased COVID-19 Mortality to Predicted Antiviral Activity of Female Sex Hormones	2
Discovery of Novel Cytochrome bc1 Complex Inhibitor Based on Natural Product Neopeltolide	1
Synthesis, Characterization, DPPH, Ferric Reducing, and Ferrous Ion- Chelating Activities of Isophthalate Schiff Bases	1
New 4-nitro-imidazole-N-glycinyl-hydrazones Designed as Trypanocidal Analogues of Benznidazole	1
Synthesis, Molecular Docking Studies, and In vitro Anticancer Evaluation of Novel Tolfenamic Acid Derivatives	1
Caffeic Acid Phenethyl Ester Effects: In Silico Study of its Osteoimmunological Mechanisms	1
Fragment-based Drug Design of Antitumoral Molecules Polo-like Kinase 1 Inhibitors: In-silico Approach	1
Triazolylthioacetamides Confer Inhibitory Efficacy against Metallo-β- Lactamase IMP-1	1
Identification of Novel Nrf2 Activator via Protein-ligand Interactions as Remedy for Oxidative Stress in Diabetes Mellitus	1
Assessment of Wound Healing Potential of Simvastatin Emulgel in Rat Excision Wound Model	1
Virtual Screening Based Discovery of PTP1B Inhibitors and Their Biological Evaluations	1
Synthesis of New Bis-pyrazolines Endowed with Potent Antifungal Activity against Candida albicans and Aspergillus niger	1
Landscape Determinants of Infectivity and Insights into Vaccine Development and Effectiveness - Novel Coronavirus	1
Insights into Biophysical Methods to Study Interactions Between HIV-1 Reverse Transcriptase and Non-nucleoside Reverse Transcriptase Inhibitors	1
Unveiling the Anti-tubercular Properties of Biscoumarins, through Biological Evaluation and Docking Studies	1
A Review on Hepatoprotective Effects of Some Medicinal Plant Oils	1
Computational Screening for Finding New Potent COX-2 Inhibitors as Anticancer Agents	1
Potential Inhibition of COVID-19 RNA-dependent RNA Polymerase by Hepatitis C Virus Non-nucleoside Inhibitors: An In-silico Perspective	1
Identification of Active Phytochemical from Traditional Herbal Knowledge-base Targeting Pantothenate Synthetase for Anti-tuberculosis Therapy	1
Novel S-Mercaptotriazolebenzothiazole-Based Derivatives as Antimicrobial Agents: Design, Synthesis, and In Vitro Evaluation	1
The Importance of Neglected and Underutilized Medicinal Plants from South America in Modern Pharmaceutical Sciences	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
Considering the Conception of Nanotechnology Integrated on Herbal Formulation for the Management of Cancer	1
Anti-cancerous Properties of the Synthesized Substituted Chromene Compounds and their Pharmacological Activities	1
Screening of Natural Compounds Against SOD1 as a Therapeutic Target for Amyotrophic Lateral Sclerosis	1
Anticholinesterase Activity of Cinnamic Acids Derivatives: In Vitro, In Vivo Biological Evaluation, and Docking Study	1
Elucidating the Molecular Targets and Mechanisms of Chlorogenic Acid Against Alzheimer’s Disease via Network Pharmacology and Molecular Docking	1
Aminoquinoline-triazine Conjugates: Design, Synthesis, Antibacterial Activity, and SAR Analysis	1
Immunoinformatic Approach for the Identification of Potential Epitopes Against Stenotrophomonas maltophilia: A Global Opportunistic Pathogen	1
Evaluating Radioprotection of Rat’s Jejunum by a Combination of Melatonin and Metformin	1
Design and Efficient Synthesis of Novel 4,5-Dimethylthiazole-Hydrazone Derivatives and their Anticancer Activity	1
Drug Re-purposing from SARS-CoV Led the Identification of Potential Candidate Drug Target and Alternate Drug Molecules Against SARSCoV- 2	1
Natural Chemical Entities as Bioactive Moiety from Weaver Ant, Oecophylla smaragdina: An In Vitro and In-silico Study	1
Development of Phthalimide-Donepezil Hybrids as Potent Multitarget- Directed Ligands for the Treatment of Alzheimer’s Disease	1
Morelloflavone as Potential Anticancer Agent Against MCF-7 Breast Cancer Cell Lines: In vitro and In silico Studies	1
In-silico Identification and Analysis of Hub Proteins for Designing Novel First-line Anti-seizure Medications	1
Preliminary Analysis of Anti-proliferative, Apoptotic, and Anti-migratory Effects llw-3-6 in Skov-3 Ovarian Cystadenocarcinoma Cell Line	1
Existing Drug Repurposing for Glioblastoma to Discover Candidate Drugs as a New a Approach	1
Structure-based Drug Design Strategies in the Development of Small Molecule Inhibitors Targeting Bcl-2 Family Proteins	1
Synthesis, Characterization and ADME Prediction Study of Heterocyclic Moieties-linked Indole Derivatives as Potential Antimicrobial Agents	1
Antimicrobial Activities of Substituted 4-N-alkylated-2-trifluoromethylquinoline Analogs Against Nontuberculous Mycobacteria	1
Drug Repurposing Using Similarity-based Target Prediction, Docking Studies and Scaffold Hopping of Lefamulin	1
Assessment of Antioxidant, Antimicrobial, and Acute Toxicology Profiles of Cordia rothii and Viola serpens	1
A Novel Design of Multi-epitope Peptide Vaccine Against Pseudomonas aeruginosa	1
An Efficient Protocol for the Synthesis, Biological Screening and Molecular Docking Studies of 3,4-Dihydropyrimidine-2-one/thione Derivatives	1
Exploring Nature’s Treasure to Inhibit β-Barrel Assembly Machinery of Antibiotic Resistant Bacteria: An In silico Approach	1
Molecular Docking and QSAR Studies of Coumarin Derivatives as NMT Inhibitors: Simple Structural Features as Potential Modulators of Antifungal Activity	1
Exploring Nature’s Treasure for Drug Discovery	1
A Review on Synthesis and Biological Potential of Dihydropyridines	1
Saponins-uptake and Targeting Issues for Brain-specific Delivery for Enhanced Cell Death Induction in Glioblastoma	1
Triamcinolone as a Potential Inhibitor of SARS-CoV-2 Main Protease and Cytokine Storm: An In silico Study	1
Comparative QSAR Modeling for Predicting Anticancer Potency of Imidazo[4,5-b]Pyridine Derivatives Using GA-MLR and BP-ANN Techniques	1
Perillaldehyde Building Block’s Derivatives: Targeted Bioactivities and Molecular Docking	1
Synthesis of PF-543 Derivatives Using Simple Synthetic Methods and Their Biological Effect Analysis for the Development of Anticolorectal Cancer Agents	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
A Brief Study on Drug Repurposing: New Way of Boosting Drug Discovery	1
Design and Synthesis of 4(1H)-quinolone Derivatives as Autophagy Inducing Agents by Targeting ATG5 Protein	1
Discovery of Structural Prospects of Imidazo[1,5-a]pyrazine Derivatives as BTK Inhibitors Against Cancer: A Computational Study	1
Novel Strobilurin Derivatives Containing Carboxylate Unit as Potential Antifungal Agents	1
Synthesis and Studies of Anticancer and Antimicrobial Activity of New Phenylurenyl Chalcone Derivatives	1
Tyrosinase Inhibition by Novel Benzimidazole-thione Schiff Base Derivatives	1
Design, Synthesis, and Insecticidal Evaluation of New Benzoylureas Containing Carbamate Groups Based on the Bipartite Model of Sulfonylurea Receptor Binding Site	1
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	1
Bioinformatic Screening of Compounds from Iranian Lamiaceae Family Members against SARS-CoV-2 Spike Protein	1
Oleanolic Acid Derived from Plants: Synthesis and Pharmacological Properties of A-ring Modified Derivatives	1
A Network Pharmacology Guided Mechanism of Action Study on Oldenlandia diffusa Against Osteosarcoma	1
Synthetic Transformation of 4-fluorobenzoic Acid to 4-fluorobenzohydrazide Schiff Bases and 1,3,4-Oxadiazole Analogs having DPPH Radical Scavenging Potential	1
Determination of Binding Potential of HCV Protease Inhibitors Against to SARS-CoV-2 Papain-like Protease wtih Computational Docking	1
1,2,4 Triazoles and 1,2,4 Oxadiazoles Scaffold as SGLT2 Inhibitors: Molecular Docking and ADMET Studies	1
The Role of Aquatic Plants in Natural Products and Drug Discovery	1
In Silico Based Structural and Fingerprint Analysis of Structurally Diverse AT1 inhibitors	1
Novel 3-Substituted-2, 3-Dihydro-2-Thioxoquinazolin-4-(1H)-one derivative as Anticonvulsants: Synthesis, Molecular Docking and Pharmacological Screening	1
Synthesis, Design and Anti-inflammatory Activity of Novel 5-(Indol-3-yl)thiazolidinone Derivatives as COX-2 Inhibitors	1
Design of Oleanolic Acid-based Hybrid Compounds as Potential Pharmaceutical Scaffolds	1
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	1
Molecular Docking, DFT Studies and ADMET Simulations for Evaluating Already Approved FDA Drugs as Inhibitors for SARS-Cov-2 RNADependent Polymerase	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