Taxifolin acts as type I inhibitor for VEGFR-2 kinase: Stability evaluation by molecular dynamic simulation

Sharad Verma, Amit Singh, Abha Mishra

Pages: 41-46

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Molecular construction of NADH-cytochrome b5 reductase inhibition by flavonoids and chemical basis of difference in inhibition potential: Molecular dynamics simulation study

Sharad Verma, Amit Singh, Abha Mishra

DOI: 10.7324/JAPS.2012.2804Pages: 33-39

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Potential activity of some natural products compounds as Neuraminidase inhibitors based on molecular docking simulation and in vitro test

Muchtaridi Muchtaridi, Ady Aliyudin, Holis Abdul Holik

DOI: 10.7324/JAPS.2015.54.S11Pages: 065-073

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In silico analysis of indole-3-carbinol and its metabolite DIM as EGFR tyrosine kinase inhibitors in platinum resistant ovarian cancer vis a vis ADME/T property analysis

Raju Dash, S. M. Zahid Hosen, Md. Rezaul Karim, Mohammad Shah Hafez Kabir, Mohammed Munawar Hossain, Md. Junaid, Ashekul Islam, Arkajyoti Paul, Mohammad Arfad Khan

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Docking and ADME/T analysis of silibinin as a potential inhibitor of EGFR kinase for ovarian cancer therapy

S. M. Zahid Hosen, Mohammad Shah Hafez Kabir, Abul Hasanat, Tanvir Ahmad Chowdhury, Nishan Chakrabarty, Shanker Kumar Sarker, Md. Razibul Habib, Raju Dash

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QSAR, Molecular Docking and Dynamics Studies of Quinazoline Derivatives as Inhibitor of Phosphatidylinositol 3-Kinase

Muhammad Arba, Ruslin, Waode Umi Kalsum, Armid Alroem, Muhammad Zakir Muzakkar, Ida Usman, Daryono Hadi Tjahjono

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Molecular modeling of 4-fluoropyrrolidine-2-carbonitrile and octahydrocyclopenta[b]pyrrole-2-carbonitrile as a dipeptidyl peptidase IV (DPP4) inhibitor

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DOI: 10.7324/JAPS.2018.81001Pages: 001-007

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Computational approach toward targeting the interaction of porphyrin derivatives with Bcl-2

Muhammad Arba, Yamin, Sunandar Ihsan, Daryono Hadi Tjahjono

DOI: 10.7324/JAPS.2018.81208Pages: 060-066

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A simplified system for simulation of Streptococcus mutans biofilm on healthy extracted human tooth as dental plaque model

Nadia Halib, Nor Zaihana Abdul Rahman, Rohazila Mohamad Hanafiah, Nabihah Roslan, Nurhani Jauhar

DOI: 10.7324/JAPS.2019.90215Pages: 112-115

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Molecular docking of various bioactive compounds from essential oil of Trachyaspermum ammi against the fungal enzyme Candidapepsin-1

Abhishek Biswal R., Venkataraghavan R., Vivek Pazhamalai, Ivo Romauld S.

DOI: 10.7324/JAPS.2019.90503Pages: 021-032

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Identification of polyketide synthase 13 inhibitor: Pharmacophore-based virtual screening and molecular dynamics simulation

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DOI: 10.7324/JAPS.2019.90702Pages: 012-017

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Computational study of the potential molecular target for antibreast cancer activity of limonoid derivatives from chisocheton sp

Nurlelasari Nurlelasari, Ade Rizqi Ridwan Firdaus, Desi Harneti, Nenden Indrayati, Umi Baroroh, Muhammad Yusuf

DOI: 10.7324/JAPS.2020.102002Pages: 007-012

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Structural depiction and analysis of RasGap protein using molecular dynamics simulations

Virupaksha A. Bastikar, Pramodkumar P. Gupta, Piyush Kumar, Alpana Bastikar, Santosh S. Chhajed

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Pharmacometrics: The science applied from bench to bedside

P. A. Bhavatharini, M. Deepalakshmi, K. P. Arun

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In silico prediction of interactions and molecular dynamics simulation analysis of Mpro of Severe Acute Respiratory Syndrome caused by novel coronavirus 2 with the FDA-approved nonprotein antiviral drugs

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DOI: 10.7324/JAPS.2022.120508Pages: 104-119

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Designing of next-generation dihydropyridine-based calcium channel blockers: An in silico study

Sujoy Karmakar, Hriday Kumar Basak, Uttam Paswan, Arun Kumar Pramanik, Abhik Chatterjee

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Identification of potential bioactive compounds from Azadirachta indica (Neem) as inhibitors of SARS-CoV-2 main protease: Molecular docking and molecular dynamics simulation studies

Donny Ramadhan, Firdayani Firdayani, Nihayatul Karimah, Elpri Eka Permadi, Sjaikhurrizal El Muttaqien, Agus Supriyono

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Computational study of binding of oseltamivir to neuraminidase mutants of influenza A virus

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Evaluation of pharmacist’s practices regarding pediatric diarrhea management therapy: A simulated patient study

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In silico screening and identification of lead molecules from Garcinia gummi-gutta with multitarget activity against SARS-CoV-2

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Purification and characterization of a novel zinc chelating peptides from Holothuria scabra and its ex vivo absorption activity in the small intestine

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Cost-effectiveness analysis of several dosage regimens of vancomycin in ventilator-associated pneumonia critically ill patients

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Computational investigation into Parinari curatellifolia flavonoids as lead hepatoprotective therapeutics

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Flavonoid compound of red fruit papua and its derivatives against sars-cov-2 mpro: An in silico approach

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Therapeutic potential of earthworm-derived proteins: Targeting NEDD4 for cardiovascular disease intervention

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Molecular docking and molecular dynamics simulation of glycyrrhizic acid in multitarget agents as potential inhibitors of respiratory influenza viruses

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Investigation ethanol extract of Piper crocatum leaves as condyloma acuminata inhibitor using protein interaction and molecular simulation

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Molecular simulation studies and systems biological approach to identify the target lead compound for the enzyme DNA gyrase

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Molecular modeling approaches in formulations of sunscreen nanoemulsion with active ingredients asiaticoside from Centella asiatica (L) urban fraction

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