Search Result "Autodock 4.1."


Research Article

Performance Evaluation of Docking Programs- Glide, GOLD, AutoDock & SurflexDock, Using Free Energy Perturbation Reference Data: A Case Study of Fructose-1, 6-bisphosphatase-AMP Analogs

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 20 Issue: 12 Year: 2020 Page: 1179-1187
Author(s): K. Kumar Reddy,R.S. Rathore,P. Srujana,R.R. Burri,C. Ravikumar Reddy,M. Sumakanth,Pallu Reddanna,M. Rami Reddy

Research Article

Withania somnifera: The Wonder Plant with Withanolide E and J InhibitInflammatory Mediator AP-1 Factor

Journal: Current Bioactive Compounds
Volume: 19 Issue: 2 Year: 2023 Page: 63-78
Author(s): Srushti Sandu Chavadapur

Research Article

Molecular Insights into the Interaction of Ursolic Acid and Cucurbitacin from Colocynth with Therapeutic Targets of Mycobacterium tuberculosis

Journal: Letters in Drug Design & Discovery
Volume: 17 Issue: 10 Year: 2020 Page: 1309-1318
Author(s): Mohammad Ajmal Ali,Mohammad Abul Farah,Joongku Lee,Khalid M. Al-Anazi,Fahad M.A. Al-Hemaid

Research Article

Docking Studies of Curcumin and Analogues with Various Phosphodiesterase 4 Subtypes

Journal: Current Drug Discovery Technologies
Volume: 17 Issue: 2 Year: 2020 Page: 248-260
Author(s): Yau Xin Yi,Anand Gaurav,Gabriel A. Akowuah

Research Article

Docking, Molecular Dynamics Simulation and Synthesis of New Fenobam Analogues as mGlu5 Receptor Antagonists

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 9 Year: 2016 Page: 764-770
Author(s): Abdollah Javidan,Mohammad Javad Taghizadeh,Seyed Ayoub Hosseini,Maryam Iman,Rahim Jafari

Review Article

Disease Burden and Current Therapeutical Status of Leprosy with SpecialEmphasis on Phytochemicals

Journal: Current Topics in Medicinal Chemistry
Volume: 22 Issue: 19 Year: 2022 Page: 1611-1625
Author(s): Shasank Sekhar Swain,Gunanidhi Sahoo,Pravati Kumari Mahapatra,Sujogya Kumar Panda

Research Article

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

Journal: Letters in Drug Design & Discovery
Volume: 18 Issue: 7 Year: 2021 Page: 744-753
Author(s): Mieke Hemiawati Satari,Ameta Primasari,Hendra Dian Adhita Dharsono,Eti Apriyanti,Maria Matoetina Suprijono,Yetty Herdiyati,Dikdik Kurnia

Research Article

Structure-based Virtual Screening of Natural Compounds as Potential Anti-Allergy Agents Against Cytokine Alarmins (TSLP and IL-33)

Journal: Letters in Drug Design & Discovery
Volume: 18 Issue: 9 Year: 2021 Page: 932-942
Author(s): Rahma Muhammad Adamu,Rita Singh Majumdhar,Abdullahi Ibrahim Uba

Research Article

In Silico Drug Design: Development of New Pyrimidine-based Benzothiazole Derivatives, Selective for CDK2

Journal: Letters in Drug Design & Discovery
Volume: 18 Issue: 10 Year: 2021 Page: 961-975
Author(s): Rania Kasmi,Larbi Elmchichi,Abdellah El Aissouq,Mohammed Bouachrine,Abdelkrim Ouammou

Research Article

Design, Synthesis and Biological Evaluation of New 1,3-diphenyl-3- (phenylamino)propan-1-ones as Selective Cyclooxygenase (COX-2) Inhibitors

Journal: Medicinal Chemistry
Volume: 14 Issue: 7 Year: 2018 Page: 652-659
Author(s): Shabnam Farzaneh,Soraya Shahhosseini,Hadi Arefi,Bahram Daraei,Marjan Esfahanizadeh,Afshin Zarghi

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