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
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
Towards the Identification of Novel Phytochemical Leads as Macrodomain Inhibitors of Chikungunya Virus Using Molecular Docking Approach
Santhanam Vijayasri, Waheeta Hopper
DOI: 10.7324/JAPS.2017.70410Pages: 074-082
QSAR, Molecular Docking and Dynamics Studies of Pyrrolo[2,3-b]Pyridine Derivatives as Bruton’s Tyrosine Kinase Inhibitors
Ruslin, Nirwana, Muhammad Arba, Mukhsar, Daryono Hadi Tjahjono
DOI: 10.7324/JAPS.2017.71201Pages: 001-007
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
DOI: 10.7324/JAPS.2018.8501Pages: 001-009
Molecular modeling of 4-fluoropyrrolidine-2-carbonitrile and octahydrocyclopenta[b]pyrrole-2-carbonitrile as a dipeptidyl peptidase IV (DPP4) inhibitor
Muhammad Arba, Ruslin Ruslin, Nur Illiyyin Akib, Yamin Yamin, Sabarudin Ombe, Jessi Jessi, Muhammad Zakir Muzakkar, Daryono Hadi Tjahjono
DOI: 10.7324/JAPS.2018.81001Pages: 001-007
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
Identification of polyketide synthase 13 inhibitor: Pharmacophore-based virtual screening and molecular dynamics simulation
Muhammad Arba, Andy-Nur Hidayat, Henny Kasmawati, Yamin Yamin, Ida Usman
DOI: 10.7324/JAPS.2019.90702Pages: 012-017
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
In silico studies and biological evaluation of chalcone-based 1,5-benzothiazepines as new potential H1N1 neuraminidase inhibitors
Neni Frimayanti, Marzieh Yaeghoobi, Hamid Namavar, Ihsan Ikhtiarudin, Meysam Afzali
DOI: 10.7324/JAPS.2020.1010010Pages: 086-094
System biology and chemoinformatics approaches to decode the molecular mechanisms of Chrysin against colon cancer
Namit Kudatarkar, Sunil Jalalpure, Vishal S. Patil, Bhaskar Kurangi
DOI: 10.7324/JAPS.2021.110907Pages: 057-065
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
Subramaniam Sivakumar, Sugumar Mohanasundaram, Narasimhan Rangarajan, Venkatesan Sampath, Maderi Velayutham Dass Prakash
DOI: 10.7324/JAPS.2022.120508Pages: 104-119
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
DOI: 10.7324/JAPS.2022.120414Pages: 127-135
Establishing a parallel compound screening method and identifying novel antimicrobial compounds targeting Staphylococcus aureus dihydrofolate reductase
Junpei Nakashima, Masamune Takeuchi, Shuhei Kawamoto, Kohei Monobe, Junichi Taira, Shunsuke Aoki
DOI: 10.7324/JAPS.2022.120805Pages: 036-047
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
DOI: 10.7324/JAPS.2023.139799Pages: 040-049
Computational and experimental pharmacology reveals hepatoprotective effect of Cucurbita pepo in isoniazid-induced liver cirrhosis
Sanjay R. Ugare, Nayeem A. Khatib, Vishal S. Patil, Dhanashree Patil, Jagadeesh Dodakallanavar
DOI: 10.7324/JAPS.2024.148502Pages: 177-188
In silico screening and identification of lead molecules from Garcinia gummi-gutta with multitarget activity against SARS-CoV-2
Keerthi J. Sugathan, Sivanandan Sreekumar, Biju Charuvila Kamalan
DOI: 10.7324/JAPS.2024.150413Pages: 124-132
