Ngā hua rapu - "Lipinski's rule of five"

Novel 1-(2-pyrimidin-2-yl)piperazine derivatives as selective monoamine oxidase (MAO)-A inhibitors mā Betül Kaya, Leyla Yurttaş, Begüm Nurpelin Sağlik, Serkan Levent, Yusuf Özkay, Zafer Asim Kaplancikli

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Potential inhibitors of SARS-CoV-2 (COVID 19) spike protein of the delta and delta plus variant: In silico studies of medicinal plants of North-East India mā Peter Solo, M. Arockia doss

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Synthesis of Heterocyclic Schiff Bases and Evaluation of Their Antibacterial Activities and Physicochemical Properties mā Khadijeh Rabiei

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Computational analysis and in vitro investigation on Citrus flavonoids for inflammatory, diabetic and AGEs targets mā Ali MuhamedAhmed, Zahid Rasul Niazi, Muhammad Hanif, Abdul Rafey, Kashif Iqbal, Luc Pieters, Adnan Amin

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In vitro and in silico dynamic analysis of alkaloid extract of Moringa oleifera leaf as a Tocolytic agent mā Ofioritse O. Ofulue, Isoken M. Ebomoyi, Adaeze P. Uchendu

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Binding mode of triazole derivatives as aromatase inhibitors based on docking, protein ligand interaction fingerprinting, and molecular dynamics simulation studies mā Ayyub Mojaddami, Amirhossein Sakhteman, Masood Fereidoonnezhad, Zeinab Faghih, Atena Najdian, Soghra Khabnadideh, Hossein Sadeghpour, Zahra Rezaei

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The promising guide to LC-MS analysis and cholinesterase activity of Luffa cylindrica (L.) fruit using in vitro and in-silico analyses mā S. Ankul Singh, Chitra Vellapandian

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The interaction of alpha-mangostin and its derivatives against main protease enzyme in COVID-19 using in silico methods mā Syahrul Hidayat, Faisal Maulana Ibrahim, Kelvin Fernando Pratama, Muchtaridi Muchtaridi

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Protective Effects of Anethole in <i>Foeniculum vulgare</i> Mill. Seed Ethanol Extract on Hypoxia/Reoxygenation Injury in H9C2 Heart Myoblast Cells mā Jeong Won Seo, Sarmin Ummey Habiba, Yeasmin Akter Munni, Ho Jin Choi, Asma Aktar, Kishor Mazumder, Deuk-Young Nah, In-Jun Yang, Il Soo Moon

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PENAMBATAN MOLEKULER SENYAWA CENDAWAN ENDOFIT Trichoderma sp. SEBAGAI INHIBITOR PROTEIN LOW DENSITY LIPOPROTEIN, ENZIM LANASTEROL 14 DEMETILASE DAN LIPASE YANG BERTANGGUNG JAWAB D... mā Eka Sukmawaty, Susi Susanti, Masriany Masriany Masriany

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Therapeutic Potency of Mono- and Diprenylated Acetophenones: A Case Study of In-Vivo Antimalarial Evaluation mā Muhammad H. Yahya, Sodeeq A. Babalola, Abdullahi Y. Idris, Asmau N. Hamza, Nosakhare Igie, Isaiah Odeyemi, Aliyu M. Musa, Amina B. Olorukooba

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Molecular Docking and Dynamics Simulation of Several Flavonoids Predict Cyanidin as an Effective Drug Candidate against SARS-CoV-2 Spike Protein mā Asmita Shrestha, Rishab Marahatha, Saroj Basnet, Bishnu P. Regmi, Saurav Katuwal, Salik Ram Dahal, Khaga Raj Sharma, Achyut Adhikari, Ram Chandra Basnyat, Niranjan Parajuli

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Identification of promising methionine aminopeptidase enzyme inhibitors: A combine study of comprehensive virtual screening and dynamics simulation study mā Alhumaidi B. Alabbas

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In silico analysis of anti-dengue activity of faloak (Sterculia quadrifida R. Br) stem bark compounds mā Audrey G. Riwu, Jusak Nugraha, Djoko A. Purwanto, Erwin A. Triyono

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Mucin-Protected Caco-2 Assay to Study Drug Permeation in the Presence of Complex Biorelevant Media mā Dong Ye, Álvaro López Mármol, Verena Lenz, Patricia Muschong, Anita Wilhelm-Alkubaisi, Manuel Weinheimer, Mirko Koziolek, Kerstin A. Sauer, Loic Laplanche, Mario Mezler

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Pharmacokinetic predictions and docking studies of substituted aryl amine-based triazolopyrimidine designed inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase (PfDHOD... mā Zakari Ya'u Ibrahim, Adamu Uzairu, Gideon Adamu Shallangwa, Stephen Eyije Abechi

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Synthesis, molecular properties, toxicity and biological evaluation of some new substituted imidazolidine derivatives in search of potent anti-inflammatory agents mā Asif Husain, Aftab Ahmad, Shah Alam Khan, Mohd Asif, Rubina Bhutani, Fahad A. Al-Abbasi

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Mode of Action Analyses of Neferine, a Bisbenzylisoquinoline Alkaloid of Lotus (Nelumbo nucifera) against Multidrug-Resistant Tumor Cells mā Onat Kadioglu, Betty Y. K. Law, Simon W. F. Mok, Su-Wei Xu, Thomas Efferth, Vincent K. W. Wong

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In Silico Analysis of Selective Bioactive Compounds from Acronychia Pedunculata as a Potential Inhibitor of HER2 in Colorectal Cancer mā Ramya S, Manivannan Hema P, Veeraraghavan Vishnu P

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Computational investigation of Pluchea indica mechanism targeting peroxisome proliferator-activated receptor gamma mā Purnawan Pontana Putra, Raden Bayu Indradi, Tegar Achsendo Yuniarta, Dini Hanifa, Mokhamad Fahmi Rizki Syaban, Netty Suharti

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