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Most Cited Articles

Molecular Docking: Principles, Advances, and its Applications in Drug Discovery

Aminoalkylated phenolic chalcones: Investigation of biological effects on acetylcholinesterase and carbonic anhydrase I and II as potential lead enzyme inhibitors

In Silico Identification of New Anti-SARS-CoV-2 Agents from Bioactive Phytocompounds Targeting the Viral Spike Glycoprotein and Human TLR4

Synthesis and antimicrobial activity of thiohydantoins obtained from L-amino acids

Combinatorics, Big Data, Neural Network & AI for Medicinal Chemistry & Drug Administration

Chalcones and bis-chalcones analogs as DPPH and ABTS radical scavengers

The Importance of Salicylic Acid, Humic Acid and Fulvic Acid on Crop Production

Molecular docking analysis of flavonoid compounds with matrix metal-loproteinase-8 for the identification of potential effective inhibitors

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

Repurposing FDA-approved Drugs Targeting SARS-CoV2 3CLpro: A Study by Applying Virtual Screening, Molecular Dynamics, MM-PBSA Calculations and Covalent Docking

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 their Evaluation as Antimicrobial and Antimalarial Agents

Design and Prediction of ADME/Tox Properties of Novel Magnolol Derivatives as Anticancer Agents for NSCLC Using 3D-QSAR, Molecular Dock-ing, MOLCAD and MM-GBSA Studies

Synthesis and Anticancer Activities of Novel Bis-chalcones Incorporating the 1,3-diphenyl-1H-pyrazole Moiety: In Silico and In Vitro Studies

New 2-oxopyridine/2-thiopyridine derivatives tethered to a benzotriazole with cytotoxicity on MCF7 cell lines and with antiviral activities

Synthetic Transformation of 4-fluorobenzoic Acid to 4-fluorobenzohydrazide Schiff Bases and 1,3,4-Oxadiazole Analogs having DPPH Radical Scavenging Potential

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

Design, synthesis, and anticancer potential of the enzyme (PARP-1) inhibitor with computational studies of new triazole, thiazolidinone, - thieno [2, 3-d] pyrimidinones

Neuroprotective and Neuroregenerative Effects of Shikonin-mediated Inhibition of NF-κB/Stat3 in Alcoholic Encephalopathy

Nitric oxide synthases and their inhibitors: A review

Synthesis, antiproliferative, and antioxidant activities of substituted n-[(1,3,4-oxadiazol-2-yl) methyl] benzamines

Importance of Thymoquinone, Sulforaphane, Phloretin, and Epigallocatechin and their Health Benefits

Exploration of Luteolin as Potential Anti-COVID-19 Agent: Molecular Docking, Molecular Dynamic Simulation, ADMET and DFT Analysis

Preliminary identification of hamamelitannin and rosmarinic acid as covid-19 inhibitors based on molecular docking

One-pot synthesis of betulin triterpenoid quaternized pyridine derivatives and their antimicrobial activity

(Substituted)-benzo[b]thiophene-4-carboxamide synthesis and antiproliferative activity study

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