List of Articles Molecular docking Open Access Article Abstract Page Full-Text 1 - Physicochemical properties analysis and dopamine D2 receptor (D2R) docking of zotepine as an atypical antipsychotic antagonist Mehdi Nabati Vida Bodaghi-Namileh Open Access Article Abstract Page Full-Text 2 - Evaluation of [18F]FPTT Molecular structure and its binding to progesterone receptor (PR) for PET scan of breast cancer FPTT Molecular structure and its binding to progesterone receptor (PR) for PET scan of breast cancer Mehdi Nabati Vida Bodaghi-Namileh Mohammad Mazidi Open Access Article Abstract Page Full-Text 3 - The Molecular Docking and Molecular Dynamics Simulation of Some HIV-1 protease Inhibitors For the treatment of Coronavirus Disease-19 ghasem ghasemi babak motahary robabe Sayadikordabadi Asghar Alizadehdakhel 10.30495/jptc.2023.65656.1233 Open Access Article Abstract Page Full-Text 4 - QSAR studies, docking and molecular dynamics simulation of a number of heterocyclic compounds including nitrogen oxide as new anti-tuberculosis agents Ghasem Ghasemi Babak Motahary Robabe SayadikordAbadi Open Access Article Abstract Page Full-Text 5 - Synthesis and Molecular Docking studies of Some Tetrahydroimidazo[1,2-a] pyridine Derivatives as Potent α-Glucosidase Inhibitors Mohammad R. Asghariganjeh Ali A. Mohammadi Elham Tahanpesar Ayeh Rayatzadeh Somayeh Makarem Open Access Article Abstract Page Full-Text 6 - Synthesis and Molecular Docking Studies of 2-arylideneindan-1,3-diones Derivatives as an Inhibitor of 17β-hydroxysteroid Dehydrogenase Type 1 Somayeh Makarem Nazila Amiri Notash Open Access Article Abstract Page Full-Text 7 - Interaction of Human Serum Albumin with Ethyl 2-[2-(dimethylamino)-4-(4-nitrophenyl)-1,3-thiazole-5-yl]-2-oxoacetate as a Synthesized Ligand Mahboube Eslami Moghadam Maryam Saidifar Faramarz Rostami-Charati Zinatossadat Hossaini Maryam Ghadamgahi Open Access Article Abstract Page Full-Text 8 - The Study of Yarrow's Effect on Helicobacter Pylori with Ducting Molecular Simulation khadijeh tavakoli hafshejani fatehme raisi elaheh saberi Open Access Article Abstract Page Full-Text 9 - Molecular Docking and DFT Study On the Interaction Between Quercetin on surface B12N12 Fullerene Mohammad Taghi Baei Open Access Article Abstract Page Full-Text 10 - Investigating the adsorption and antioxidant properties of Gallic acid on surface the B12N12 fullerene using quantum mechanical DFT and Molecular Docking Mohammad Taghi Baei khadijeh tavakoli hafshejani Open Access Article Abstract Page Full-Text 11 - Molecular simulation of polyketides isolated from the endophyte Phialophora verrucosa Reda Ahmed Abdelhamid Alaa Mohamed Nafady Mohamed Ezzat Abouelela Hiroyuki Konno Ehab Saad El-Khayat Open Access Article Abstract Page Full-Text 12 - Investigation of inhibitory properties of triphenyl-LasR enzyme involved in the quorum sensing of Pseudomonas aeruginosa by molecular modeling Mahshad Shahriari Faezeh Nourmandipour Samira Norouzi Samad Nejad Ebrahimi 10.30495/tpr.2021.1931857.1209 Open Access Article Abstract Page Full-Text 13 - Phytochemical studies of Tetrataenium nephrophyllum and anti-acetylcholinesterase activities Mehdi Abbasi Marzie Omrani Leila Raiatparvar Malieki Ali Sonboli Samad Nejad Ebrahimi 10.30495/tpr.2021.1946692.1232 Open Access Article Abstract Page Full-Text 14 - Molecular docking, anti-inflammatory, antimicrobial and antioxidant evaluation of Pterospermum rubiginosum B. Heyne Rajamohanan Anish Fathima Rumaisa Thankamani Aswathy Velappan Nair Kalpana Arun Rauf 10.30495/tpr.2023.1977515.1316 Open Access Article Abstract Page Full-Text 15 - Unlocking the anthelmintic potential of Grewia bilamellata Gagnep.: In-vitro and molecular docking studies on adult Indian earthworms Poornima Gurivelli Sunitha Katta 10.30495/tpr.2023.1983640.1332 Open Access Article Abstract Page Full-Text 16 - Investigating the molecular docking of aurantamide in the medicinal plant Moringa Olifera on the inhibition of prostaglandins Hamideh Khageh zahra Jomee Ghasemabadi 10.30495/qafj.2023.2002852.1103 Open Access Article Abstract Page Full-Text 17 - Investigation of the interaction between Aripiprazole drug with calf thymus DNA: spectroscopic and molecular docking studies Saba Hadidi Open Access Article Abstract Page Full-Text 18 - Inclusion Complex of β-CD-DZ as a nanocarrier: Preparation, Spectroscopic characterization, Thermodynamic parameters and molecular modelling Study Fatemeh Fateminasab Abdol-Khalegh Bordbar Open Access Article Abstract Page Full-Text 19 - In silico study to Identify New Inhibitors of Staphylococcus aureus (S. aureus) Sortase A hassan sahebjamee Mehr Ali Mahmood Janlou Open Access Article Abstract Page Full-Text 20 - Molecular docking and ADMET prediction of active compounds in Tualang honey against Sex hormone-binding globulin (SHBG) for the treatment of male infertility Hamed Shahriarpour Mostafa Ghaderi-Zefrehei 10.30495/zisti.2023.1987659.1163 Open Access Article Abstract Page Full-Text 21 - QSAR, Molecular docking and Molecular dynamics studies simulation of Epigenetic inhibitors ghasem ghasemi babak motahary Robabe SayadikordAbadi omid alizadeh Open Access Article Abstract Page Full-Text 22 - Albumin binding and cytotoxicity assay of nickel oxide nanoparticles against primary hippocampal neural cells Mojtaba Falahati Pegah Ghoraeian Ghoraeian Sara Haji Hosseinali 10.22034/jna.2019.1878049.1158 Open Access Article Abstract Page Full-Text 23 - Albumin binding and cytotoxicity assay of nickel oxide nanoparticles against primary hippocampal neural cells Sara Haji Hosseinali Mojtaba Falahati Pegah Ghoraeian 10.22034/jna.2020.674956 Open Access Article Abstract Page Full-Text 24 - In silico Analysis of Inhibitory Potential of Major non-Steroidal Anti-inflammatory Drugs against Las-quorum Sensing Circuit in Pseudomonas aeruginosa Hossein Zahmatkesh Behnam Rasti 10.71886/bioem.2022.1001645 Open Access Article Abstract Page Full-Text 25 - In-silico Analysis of Chemical Interaction Space Governed by Diclofenac Sodium and Las Quorum Sensing Receptors in Pseudomonas aeruginosa S. Shirin Shahangian 10.71886/bioem.2023.1001674 Open Access Article Abstract Page Full-Text 26 - مطالعه محاسباتی اثر مهاری برگ Gongronema latifolium (benth) روی آنزیم فارنسیل پیروفسفات سنتاز، (آنزیم هدف در درمان پوکی استخوان) با رویکرد مدلسازی مولکولی ساموئل اولوبود بانکول موتولیب پرسوس آکینوسی واسیو سالودین کهینده اوجوبولا اولاینکا آدانلاوو ابیگیل آیودل آدفونکه اوگونلاد عبداللهی آدرمی 10.30495/medherb.2022.694445 Open Access Article Abstract Page Full-Text 27 - SFHS: Reusable catalyst for the synthesis of polyhydroquinoline derivatives and its molecular docking studies against tyrosine protein kinase Amit Waghmare Tushar Patil Kailash Kadam Shivaji Pandit Open Access Article Abstract Page Full-Text 28 - Synthesis of dihydropyranocarbonitrile compounds based on kojic acid linked to 1,2,3-triazole ring by click chemistry approach and their evaluation as potential tyrosinase inhibitors Zahra Najafi Soheila Esmaili Saeed Babaee Behnam Khaleseh Gholamabbas Chehardoli Mehdi Khoshneviszadeh Tahmineh Akbarzadeh 10.30495/jacr.2023.1976876.2080 Open Access Article Abstract Page Full-Text 29 - Kojic Acid Effect on the Inhibitory Potency of Tyrosinase Forogh Azami Elham Tazikeh-Lemeski Mehr-Ali Mahmood-Janlou 10.22034/jchr.2017.544176 Open Access Article Abstract Page Full-Text 30 - Investigating the Interaction between SSRI Drugs and Human Serum Albumin: Unraveling the Key Players in Antidepressant Delivery Vajagathali Mohammed Nikitha Shalom Richard 10.22034/JCHR.2024.1087639 Open Access Article Abstract Page Full-Text 31 - Synthesis, Evaluation of New Imidazolidin-4-one and Thiazolidine -4- one compound on Insulin in the Serum of Type 1 Diabetes Albino Rats Laith G. Atiya Omar M. Yahya Salim J. Mohammed 10.22034/JCHR.2024.1088052 Open Access Article Abstract Page Full-Text 32 - Synthesis and molecular docking studies of 4H-chromene derivatives as a calcium channel blocking agent somayeh makarem yalda kashkooli Afshin Rajabi Khorrami Shabnam nadjafi Open Access Article Abstract Page Full-Text 33 - Phytochemical characterization and biological properties of Ocimum sanctum L. and its active phytocomponents: Eugenol and β-caryophyllene Krupali Trivedi Nilam Parmar Khairah Ansari Vaibhavi Srivastava Nishi Modi Devendrasinh Jhala 10.71596/tpr.2024.1126044
