Molecular Docking Simulation - Articles - Scientific Research Publishing

Binding of Quinoline-Based Inhibitors to Plasmodium falciparum Lactate Dehydrogenase: A Molecular Docking Study (Articles)

Victor F. Waingeh, Adam T. Groves, Jeremy A. Eberle

Open Journal of Biophysics Vol.3 No.4, October 24, 2013

DOI: 10.4236/ojbiphy.2013.34034 5,136 Downloads 9,208 Views Citations
1-(4-(Pyrrolidin-1-ylsulfonyl)phenyl) ethanone in Heterocyclic Synthesis: Synthesis, Molecular Docking and Anti-Human Liver Cancer Evaluation of Novel Sulfonamides Incorporating Thiazole, Imidazo[1,2-a]pyridine, Imidazo[2,1-c] [1,2,4]triazole, Imidazo[2,1-b]thiazole, 1,3,4-Thiadiazine and 1,4-Thiazine Moieties (Articles)

Mahmoud Sayed Bashandy

International Journal of Organic Chemistry Vol.5 No.3, September 8, 2015

DOI: 10.4236/ijoc.2015.53018 5,447 Downloads 7,315 Views Citations
Virtual Screening and Molecular Docking for Arylalkylamine-N-Acetyltransferase (aaNAT) Inhibitors, a Key Enzyme of Aedes (Stegomyia) aegypti (L.) Metabolism (Articles)

Bruno Luis Alves Lourenço, Maicon Vinícius Araújo Santos Silva, Elisson Barros de Oliveira, Wagner Rodrigues de Assis Soares, Aristóteles Góes-Neto, Gesivaldo Santos, Bruno Silva Andrade

Computational Molecular Bioscience Vol.5 No.3, September 23, 2015

DOI: 10.4236/cmb.2015.53005 4,832 Downloads 6,839 Views Citations
The Locus PgaABCD of Acinetobacter junii Putatively Responsible for Poly-β-(1,6)-N-Acetylglucosamine Biosynthesis Might Be Related to Biofilm Formation: A Computational Analysis (Articles)

Bipransh Kumar Tiwary, Arvind Kumar, Ravi Kant Pathak, Nishtha Pandey, Krishna Kant Yadav, Ranadhir Chakraborty

Advances in Microbiology Vol.6 No.3, March 31, 2016

DOI: 10.4236/aim.2016.63022 2,436 Downloads 3,807 Views Citations
This article belongs to the Special Issue on Research on Gram Bacteria
Molecular Docking of the Inhibitory Activities of Triterpenoids of Lonchocarpus cyanescens against Ulcer (Articles)

Isaiah A. Adejoro, Sodiq O. Waheed, Omolara O. Adeboye, Frederick U. Akhigbe

Journal of Biophysical Chemistry Vol.8 No.1, February 28, 2017

DOI: 10.4236/jbpc.2017.81001 1,830 Downloads 4,159 Views Citations
Fluorescence Spectroscopy and Molecular Docking Approach to Probe the Interaction between Dehydroeburicoic Acid and Human Serum Albumin (Articles)

Shijie Zheng, Shude Yang, Xianhao Cheng, Tolgor Bau, Yu Li, Rui Zhang, Haiying Bao

Advances in Microbiology Vol.9 No.1, January 14, 2019

DOI: 10.4236/aim.2019.91003 1,134 Downloads 2,688 Views Citations
Impact of Nicotine Consumption on Hyper Acidic Patients Taking PPI: An In-Vitro and Computational Analysis (Articles)

Sabia Nawsheen, Md. Abu Sufian, Kanij Nahar Deepa

Health Vol.11 No.2, February 13, 2019

DOI: 10.4236/health.2019.112012 3,661 Downloads 5,050 Views Citations
Purification and Molecular Docking Study of Angiotensin-I Converting Enzyme (ACE) Inhibitory Peptide from Alcalase Hydrolysate of Hazelnut (Corylus heterophylla Fisch) Protein (Articles)

Chunlei Liu, Yan Yu, Fang Liu, Lixin You

Food and Nutrition Sciences Vol.10 No.11, November 29, 2019

DOI: 10.4236/fns.2019.1011098 953 Downloads 2,408 Views Citations
Exploration on Shufeng Jiedu Capsule for Treatment of COVID-19 Based on Network Pharmacology and Molecular Docking (Articles)

Yanwu Zhao, Junhui Hu, Jiang Song, Xinhong Zhao, Yanjing Shi, Yanping Jiang

Chinese Medicine Vol.11 No.1, March 31, 2020

DOI: 10.4236/cm.2020.111002 865 Downloads 2,412 Views Citations
Molecular Docking and Conceptual DFT-Based Study of Some Potential SARS-CoV-2 Inhibitors (Articles)

Norma Flores-Holguín, Daniel Glossman-Mitnik

Computational Molecular Bioscience Vol.10 No.4, December 31, 2020

DOI: 10.4236/cmb.2020.104008 834 Downloads 2,439 Views Citations
Probing of Interaction between Alogliptin Benzoate and Human Serum Albumin Using Multi-Spectral Methods and Molecule Docking Technique (Articles)

Nan Zhang, Jianbo Chen, Zhuowei Han

Open Access Library Journal Vol.8 No.5, May 28, 2021

DOI: 10.4236/oalib.1107283 170 Downloads 1,218 Views Citations
Prediction of the Active Ingredients and Mechanism of ASH against Liver Cancer Based on Network Pharmacology and Molecular Docking (Articles)

Wenhua Guo, Kun Zhang, Luhong Yang

Open Access Library Journal Vol.8 No.8, August 20, 2021

DOI: 10.4236/oalib.1107739 205 Downloads 1,308 Views Citations
Synthesis, SAR, and in Silico ADME Screening Studies of Some 9-Amino-3-Phenylacridone Derivatives as Topoisomerase II Inhibitors (Articles)

Abiodun S. Oyedele, Toluwase H. Fatoki, Esha Dalvie, Neil Osheroff, Cosmas O. Okoro

Open Journal of Medicinal Chemistry Vol.13 No.2, June 30, 2023

DOI: 10.4236/ojmc.2023.132002 309 Downloads 1,177 Views Citations
DFT-Based Chemical Reactivity Descriptors, Pharmacokinetics and Molecular Docking Studies of Thymidine Derivatives (Articles)

Mohammad Ahad Hossain, Shahin Sultana, Mohammad Mazherul Islam, Sonia Akhter, Faria Nur, Fatima Majabin, Kantom Islam, Kazi Jawad Hossain, Yasuhiro Ozeki, Sarkar M. A. Kawsar

Computational Chemistry Vol.11 No.4, October 31, 2023

DOI: 10.4236/cc.2023.114006 385 Downloads 1,806 Views Citations
Molecular Docking Studies on Streptomycin Antileishmanial Activity (Articles)

Todd A. Young, Matthew George Jr., Ayele Gugssa, William M. Southerland, Yayin Fang, Clarence M. Lee

Open Journal of Physical Chemistry Vol.14 No.2, May 11, 2024

DOI: 10.4236/ojpc.2024.142003 198 Downloads 921 Views Citations
The Mechanism of Celastrol in the Treatment of Metastatic Lung Adenocarcinoma Revealed by Network Pharmacology and Molecular Docking (Articles)

Caihua Zhang, Wei Du

Journal of Biosciences and Medicines Vol.12 No.6, June 26, 2024

DOI: 10.4236/jbm.2024.126023 190 Downloads 830 Views Citations
Comprehensive Assessment of Anxiolytic Properties in 4-HPAA Derivatives: Bridging in Vivo Validation and Molecular Docking Analyses (Articles)

Kawthar Alhussieni, Rami Ayoub, Jamal Jilani, Qais Jarrar, Othman Alhussinei, Vetriselvan Subramaniyan, Esra Nasraldin Khalil Sharafaldin, Harshini Muruganantham, Jureerat Kijsomporn, Ling Shing Wong

Open Journal of Medicinal Chemistry Vol.14 No.3, September 20, 2024

DOI: 10.4236/ojmc.2024.143003 137 Downloads 816 Views Citations
Favipiravir-RTP as a Potential Therapeutic Agent for Inhibiting Dengue Virus Replication (Articles)

Pui-Jen Tsai

Journal of Biosciences and Medicines Vol.13 No.2, February 20, 2025

DOI: 10.4236/jbm.2025.132021 81 Downloads 570 Views Citations
QSAR Studies on HIV-1 Protease—A Battle against HIV Using Computational Chemistry (Articles)

Pokala Sai Kovela Sanjana, Radhika Vangala, Sree Kanth Sivan

Computational Chemistry Vol.13 No.1, January 27, 2025

DOI: 10.4236/cc.2025.131001 83 Downloads 533 Views Citations
Geometry Optimization, Quantum Chemical Analysis, Visual Study of Weak Interactions, and the Antifungal Activity Studies of Some Metal (II) Complexes of 1,4-Benzodioxane-6-Carbaldehyde Thiosemicarbazone by Molecular Docking (Articles)

Roland B. Enongene, Gwendoline M. Toh-Boyo, Bridget N. Ndosiri, Emmanuel N. Nfor, Offiong E. Ofiong, Hitler Louis

Computational Chemistry Vol.13 No.4, August 29, 2025

DOI: 10.4236/cc.2025.134004 93 Downloads 487 Views Citations

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