Crystallographic and computational characterization and in silico target fishing of six aromatic and aliphatic sulfonamide derivatives by Anh Van Nguyen, Anh Thi Ngoc Vu, Andrey N. Utenyshev, Valeriy Tkachev, Nadezhda Polyanskaya, Dmitriy Shchevnikov, Magrarita Vasil’eva, Hieu Tran-Trung, Xuan Ha Nguyen, Olga V. Kovalchukova

Get full text

Unveiling the biological activities of Heliotropium indicum L. plant extracts: anti-inflammatory activities, GC–MS analysis, and in-silico molecular docking by Mst. Sadia Afroz Shoily, Md. Ekramul Islam, Nur Mohammad Rasel, Shahnaz Parvin, Jaytirmoy Barmon, Aqibul Hasan Aqib, Debendra Nath Roy, Mst. Shahnaj Parvin

Get full text

Anti-allergic potentials of Ceriops decandra leaves in TDI-induced allergic mice: Comprehensive in-vivo and in-silico studies by Aishwarja Dey, Subarna Rani, Rabindra Nath Acharyya, Apurba Kumar Barman, Khondoker Shahin Ahmed, Nripendra Nath Biswas, Shrabanti Dev, Asish Kumar Das

Get full text

Synthesis and evaluation of nitrochromene derivatives as potential antileishmanial therapeutics through biological and computational studies by Niloofar Javid, Ali Asadipour, Ehsan Salarkia, Mohammad Amin Langarizadeh, Fatemeh Sharifi, Mohammad Mahdavi, Bagher Amirheidari, Aida Iraji, Hojjat Rezaiezadeh, Gholamreza Hassanpour, Yaghoub Pourshojaei

Get full text

Bridging Molecular Docking to Molecular Dynamics to Enlighten Recognition Processes of Tailored D-A/D-A-D Types' AIEgens with HSA/BSA by Harun Nalçakan, Gülbin Kurtay

Get full text

Phygital Education through Storytelling and Learning by Doing: the Binario 9 ¾ project by Fabio Sartori, Claudia Maga, Barbara Tosi, Alessandro Varallo

Get full text

The Ethics of Canadian Entry-To-Practice Pain Competencies: How Are We Doing? by Judy Watt-Watson, Elizabeth Peter, A John Clark, Anne Dewar, Thomas Hadjistavropoulos, Pat Morley-Forster, Christine O’Leary, Lalitha Raman-Wilms, Anita Unruh, Karen Webber, Marsha Campbell-Yeo

Get full text

3D-QSAR and Docking Studies of a Series of β-Carboline Derivatives as Antitumor Agents of PLK1 by Jahan B. Ghasemi, Valentin Davoudian

Get full text

Evaluation of fluorinated phospholipid analogs: A study on ADMET profiles, molecular docking and dynamics simulation in anticancer therapy by Saqib Ishaq, Obaid Habib, Abdul Aziz, Raheel Tahir, Hira Mushtaq, Said Hassan, Sarah Sarwar, Mohammad S. Mubarak, Ajaz Ahmad, Amin Ullah

Get full text

Identification of Potential Herbal Inhibitor of Acetylcholinesterase Associated Alzheimer’s Disorders Using Molecular Docking and Molecular Dynamics Simulation by Chandrabhan Seniya, Ghulam Jilani Khan, Kuldeep Uchadia

Get full text

Identification of natural phytochemicals as AKT2 inhibitors using molecular docking and dynamics simulations as potential cancer therapeutics by Jibon Kumar Paul, Mahir Azmal, Md Naimul Haque Shohan, Mohua Mrinmoy, ANM Shah Newaz Been Haque, Omar Faruk Talukder, Ajit Ghosh

Get full text

Synthesis, X-Ray Crystal Structures, Biological Evaluation, and Molecular Docking Studies of a Series of Barbiturate Derivatives by Assem Barakat, Hazem A. Ghabbour, Abdullah Mohammed Al-Majid, Qurat-ul-ain, Rehan Imad, Kulsoom Javaid, Nimra Naveed Shaikh, Sammer Yousuf, M. Iqbal Choudhary, Abdul Wadood

Get full text

Clove and Thyme Essential Oils: From Molecular Docking to Food ApplicationA Study of Their Preservative Properties in Buttermilk by Mohamed Raafat Atteya, Ramy M Romeilah, Khaled M. A. Ramadan, Hossam S. El-Beltagi, Ahmed Maher Gaber, Sallah A. Al Hashedi, Nada Ali AboZaid, Mohamed A. A. Mahmoud, Rania Youssef, Rasha A. Mohamed, Eslam S.A. Bendary

Get full text

Exploring the interactions of rapamycin with target receptors in A549 cancer cells: insights from molecular docking analysis by Sanjeev K. Ganesh, C. Subathra Devi

Get full text

Hemoglobin-Derived Antioxidant Peptides from Beef Cattle in Ningxia: Identification Based on Computerized Screening and Molecular Docking by XU Feiran, WANG Yu, WANG Xiaojing, CUI Wei, WANG Yongkun, ZHOU Hui, WANG Zhaoming, CAI Kezhou, ZHANG Bao, XU Baocai

Get full text

Stereospecific α-glucosidase inhibition, kinetics, and molecular docking studies on isolated diastereomeric alkaloids from Uncaria longiflora by Nurul Aina Suzlin Sulaiman, Muhammad Farhan Syakir Nor Azman, Mohd Fadhlizil Fasihi Mohd Aluwi, Zainul Amiruddin Zakaria, Mohammad Jemain Mohammad Ridhwana, Fatimah Salim

Get full text

Engineering of Dihydroxy Biphenyl Dioxygenase Enzyme to Improve Its Performance In Removing PCBs: A Molecular Docking Study by Susan Yazdankhah, Alireza Zakeri, Saeed Khalili, Abolfazl Jahangiri, ZahraalSadat Hashemi, Alireza Heidari

Get full text

RATIONAL DRUG DESIGN OF POTENT V600E-BRAF KINASE INHIBITORS THROUGH MOLECULAR DOCKING SIMULATION by Bello Abdullahi Umar, Adamu Uzairu, Gideion Adamu Shallangwa, Sani Uba

Get full text