Molecular Docking: Principles, Advances, and its Applications in Drug Discovery
Volume 21, Issue 3, January 2024, Pages 480-495
The New Era of Drug Discovery: The Power of Computer-aided Drug Design (CADD)
Volume 19, Issue 11, November 2022, Pages 951-955
Survey on medicinal plants and herbs in traditional iranian medicine with anti-oxidant, anti-viral, anti-microbial, and anti-inflammation properties
Volume 20, Issue 11, January 2023, Pages 1707-1743
Description and In silico ADME Studies of US-FDA Approved Drugs or Drugs under Clinical Trial which Violate the Lipinski’s Rule of 5
Volume 21, Issue 8, January 2024, Pages 1334-1358
The Importance of Salicylic Acid, Humic Acid and Fulvic Acid on Crop Production
Volume 21, Issue 9, January 2024, Pages 1465-1480
In Silico Identification of New Anti-SARS-CoV-2 Agents from Bioactive Phytocompounds Targeting the Viral Spike Glycoprotein and Human TLR4
Volume 19, Issue 3, March 2022, Pages 175-191
Chalcones and bis-chalcones analogs as DPPH and ABTS radical scavengers
Volume 18, Issue 3, January 2021, Pages 249-257
Synthesis, Antimicrobial Activity, and Molecular Modeling Studies of Some Benzoxazole Derivatives
Volume 19, Issue 8, August 2022, Pages 757-768
Combinatorics, Big Data, Neural Network & AI for Medicinal Chemistry & Drug Administration
Volume 18, Issue 10, October 2021, Pages 943-948
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
Volume 19, Issue 11, November 2022, Pages 996-1006
Phytoestrogens as Potential Antiandrogenic Agents Against Prostate Cancer: An In Silico Analysis
Volume 19, Issue 1, January 2022, Pages 69-78
Synthetic Transformation of 4-fluorobenzoic Acid to 4-fluorobenzohydrazide Schiff Bases and 1,3,4-Oxadiazole Analogs having DPPH Radical Scavenging Potential
Volume 20, Issue 12, January 2023, Pages 2018-2024
Repurposing FDA-approved Drugs Targeting SARS-CoV2 3CLpro: A Study by Applying Virtual Screening, Molecular Dynamics, MM-PBSA Calculations and Covalent Docking
Volume 19, Issue 7, July 2022, Pages 637-653
Recent Advances in Drug Design and Delivery Across Biological Barriers Using Computational Models
Volume 19, Issue 10, October 2022, Pages 865-876
Molecular docking analysis of flavonoid compounds with matrix metal-loproteinase-8 for the identification of potential effective inhibitors
Volume 18, Issue 1, January 2021, Pages 16-45
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
Volume 20, Issue 5, January 2023, Pages 545-569
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
Volume 18, Issue 9, September 2021, Pages 915-931
New chalcone derivatives with pyrazole and sulfonamide pharmacophores as carbonic anhydrase inhibitors
Volume 18, Issue 2, January 2021, Pages 191-198
Synthesis and Anticancer Activities of Novel Bis-chalcones Incorporating the 1,3-diphenyl-1H-pyrazole Moiety: In Silico and In Vitro Studies
Volume 19, Issue 11, January 2022, Pages 1007-1021
Importance of Thymoquinone, Sulforaphane, Phloretin, and Epigallocatechin and their Health Benefits
Volume 21, Issue 2, January 2024, Pages 209-225
Neuroprotective and Neuroregenerative Effects of Shikonin-mediated Inhibition of NF-κB/Stat3 in Alcoholic Encephalopathy
Volume 20, Issue 12, January 2023, Pages 2045-2054
In-silico study to identify dietary molecules as potential sars-cov-2 agents
Volume 18, Issue 6, January 2021, Pages 562-573
A Review on Synthesis and Biological Potential of Dihydropyridines
Volume 21, Issue 1, January 2024, Pages 15-33
Synthesis of Some Novel 4-bromobenzoic Acid Clubbed Hydrazone Schiff Base Derivatives as Potent α-amylase Inhibitors: In vitro and In silico Studies
Volume 21, Issue 15, January 2024, Pages 3186-3197
Antimicrobials from Medicinal Plants: Key Examples, Success Stories and Prospects in Tackling Antibiotic Resistance
Volume 20, Issue 4, January 2023, Pages 420-438