Results 21 to 30 of about 6,028,998 (307)

Penambatan Molekul dan Simulasi Dinamika Molekular Kandungan Minyak Kayu Manis dan Minyak Serai Dapur Sebagai Antibakteri Methicillin Resistant Staphylococcus aureus

Alchemy, 2022
Meluasnya penyebaran Methicillin Resistant Staphylococcus aureus (MRSA) yang kebal terhadap antibiotik β-laktam membuat penelitian untuk menemukan senyawa aktif yang memiliki potensi sebagai antibakteri MRSA menjadi penting.
Caesart Leonardo Kaharudin, Afif Akmal Afkauni, Aditya Yuan Pramudyansyah, Niko Prasetyo   +3 more
doaj   +1 more source

In silico molecular docking and molecular dynamics examination of Andrographis paniculata compounds of Andrographolide, Neoandrographolide, and 5-hydroxy-7,8,2’,3’-tetramethoxyflavone inhibition activity to SARS-CoV-2 main protease [PDF]

BIO Web of Conferences, 2021
In this work, Andrographis paniculata compounds of Andrographolide, Neoandrographolide, and 5-hydroxy-7,8,2’,3’-tetramethoxyflavone inhibition activity to SARS CoV-2 main protease were examined through in silico molecular docking and molecular dynamics ...
Rizqillah Raihan Kenji, Fatriansyah Jaka Fajar, Fadilah, Sulhadi, Wahyuni Siti, Sudirman Muhammad Arif, Nafisah Helya Chafshoh, Lestari Sukma Dewi   +7 more
doaj   +1 more source

Data on docking and dynamics simulation of Entamoeba histolytica EhADH (an ALIX protein) and lysobisphosphatidic acid

Data in Brief, 2016
Entamoeba histolytica is the protozoan agent responsible for human amoebiasis. Trophozoites are highly phagocytic cells and the lysobisphosphatidic acid (LBPA) is involved in endocytosis.
Silvia Castellanos-Castro, Sarita Montaño, Esther Orozco   +2 more
doaj   +1 more source

Identification of 1, 2, 4-Triazine and Its Derivatives Against Lanosterol 14-Demethylase (CYP51) Property of Candida albicans: Influence on the Development of New Antifungal Therapeutic Strategies

Frontiers in Medical Technology, 2022
This research aims to find out whether the 1, 2, 4-triazine and its derivatives have antifungal effects and can protect humans from infection with Candida albicans.
Abhishek Kumar Verma, Aarfah Majid, Md. Shahadat Hossain, SK. Faisal Ahmed, Mohammad Ashid, Ali Asger Bhojiya, Sudhir K. Upadhyay, Naveen Kumar Vishvakarma, Mudassir Alam   +8 more
doaj   +1 more source

GPU Accelerated Molecular Docking Simulation with Genetic Algorithms [PDF]

, 2016
Receptor-Ligand Molecular Docking is a very computationally expensive process used to predict possible drug candidates for many diseases. A faster docking technique would help life scientists to discover better therapeutics with less effort and time. The requirement of long execution times may mean using a less accurate evaluation of drug candidates ...
Altuntaş, Serkan, Bozkuş, Zeki, Bozkuş, Zeki, Fraguela, Basilio B.   +3 more
openaire   +3 more sources

Identification of Potential Herbal Inhibitor of Acetylcholinesterase Associated Alzheimer’s Disorders Using Molecular Docking and Molecular Dynamics Simulation [PDF]

, 2014
Cholinesterase inhibitors (ChE-Is) are the standard for the therapy of AD associated disorders and are the only class of approved drugs by the Food and Drug Administration (FDA).
Kuldeep Uchadia, Uchadia, Kuldeep, Chandrabhan Seniya, Ghulam Jilani Khan, Seniya, Chandrabhan, Khan, Ghulam Jilani   +5 more
core   +1 more source

Molecular Docking Study of Caffeic Acid as Acetylcholinesterase Inhibitor

Journal of Food and Pharmaceutical Sciences, 2023
Acetylcholinesterase (AChE) receptor is a receptor that has been widely used as a potential drug target for Alzheimer's disease. Caffeic acid is a phenolic compound that had been experimentally proven to be an inhibitor of AChE.
Stephanus Satria Wira Waskitha, Enade Perdana Istyastono, Florentinus Dika Octa Riswanto   +2 more
doaj   +1 more source

: a molecular docking and simulation study

, 2022
The principal objective of this study was to delineate the potentiality of the MBO_200107 protein from the Mycobacterium tuberculosis variant caprae in cancer research.
Md. Habib Ullah Masum, Md. Mijanur Rahman, Talukder, Asma, Asma Talukder, Rahman, Md Mijanur, Masum, Md Habib Ullah   +5 more
core   +1 more source

In Silico Molecular Docking and Simulation Studies of Protein HBx Involved in the Pathogenesis of Hepatitis B Virus-HBV

Molecules, 2022
Current drug discovery involves finding leading drug candidates for further development. New scientific approaches include molecular docking, ADMET studies, and molecular dynamic simulation to determine targets and lead compounds.
Ibrahim Ahmed Shaikh, Uday M. Muddapur, Krithika C, Shrikanth Badiger, Madhura Kulkarni, Mater H. Mahnashi, Saleh A. Alshamrani, Mohammed A. Huneif, Sunil S. More, Aejaz Abdullatif Khan, S. M. Shakeel Iqubal   +10 more
doaj   +1 more source

Graphics processing unit accelerated coarse-grained protein-protein docking [PDF]

, 2011
Includes abstract.Includes bibliographical references (leaves [187]-202).In this work, we describe a Graphics processing unit (GPU) implementation of the Kim-Hummer coarse-grained model for protein docking simulations, using a Replica Exchange Monte ...
Tunbridge, Ian William
core   +1 more source