Discovery of two diacetylene glycosides as human uridine-cytidine kinase 2 inhibitors: an in silico approach
Magdi A. Mohamed, Amina I. Dirar, Sami Hamdoun
DOI: 10.7324/JAPS.2016.601106Pages: 034-039
In silico Determination of Efficiency of Plant Secondary Metabolites to Eradicate Trachoma- A Blinding Keratoconjuctivitis Disease
R. Sathishkumar, R. Tharani
DOI: 10.7324/JAPS.2017.70916Pages: 116-121
Systems Biology paves Pathway and Potential Enzymes Predictions towards Anticancer Drug Methyl Jasmonate Biosynthesis
Dipankar Ghosh
DOI: 10.7324/JAPS.2017.70921Pages: 153-159
Evaluation of antileishmanial potential of Gentiana kurroo Royle by in vitro and in silico methods
Arushdeep Sidana, Shiwani Kaushal, Umar Farooq
DOI: 10.7324/JAPS.2018.8222Pages: 143-149
Molecular Docking Studies Involving the Inhibitory Effect of Gymnemic Acid, Trigonelline and Ferulic Acid, the Phytochemicals with Antidiabetic Properties, on Glycogen Synthase Kinase 3 (α and β)
V. Roshana Devi, C. Sharmila, S. Subramanian
DOI: 10.7324/JAPS.2018.8422Pages: 150-160
In Silico Study of Pyrazolylaminoquinazoline Toxicity by Lazar, Protox, and Admet Predictor
Supandi, Yeni, Fajar Merdekawati
DOI: 10.7324/JAPS.2018.8918Pages: 119-129
In silico analysis of plant phytochemicals against secreted aspartic proteinase enzyme of Candida albicans
S. S. Meenambiga, R. Venkataraghavan, R. Abhishek Biswal
DOI: 10.7324/JAPS.2018.81120Pages: 140-150
Study of B cell epitope conserved region of the Zika virus envelope glycoprotein to develop multi-strain vaccine
Oktavia Rahayu Adianingsih, Viol Dhea Kharisma
DOI: 10.7324/JAPS.2019.90114Pages: 098-103
In silico molecular docking and ADME/T analysis of plant compounds against IL17A and IL18 targets in gouty arthritis
Sowmya Hari
DOI: 10.7324/JAPS.2019.90703Pages: 018-026
Phytochemical screening, in vitro anti-oxidant activity, and in silico anti-diabetic activity of aqueous extracts of Ruellia tuberosa L
Anna Safitri, Fatchiyah Fatchiyah, Dewi Ratih Tirto Sari, Anna Roosdiana
DOI: 10.7324/JAPS.2020.103013Pages: 101-108
In silico and in vitro anti-inflammatory evaluation of 2,6-bis-(3'-ethoxy, 4'-hydroxybenzylidene)-cyclohexanone, 2,6-bis-(3'-Bromo,4'-methoxybenzylidene)-cyclohexanone, and 2,6-bis- (3',4'-dimethoxybenzylidene)-cyclohexanone
Bambang Wijianto, Ritmaleni Ritmaleni, Hari Purnomo, Arief Nurrochmad
DOI: 10.7324/JAPS.2020.10613Pages: 099-106
Molecular Dynamic Simulation of Centella asiatica Compound as an Inhibitor of Advanced Glycation End Products
Lili Legiawati, Fadilah Fadilah, Kusmarinah Bramono, Siti Setiati, Em Yunir
DOI: 10.7324/JAPS.2020.10801Pages: 001-007
The potential of leaf extract of Pangium edule Reinw as HIV-1 protease inhibitor: A computational biology approach
Sefren Geiner Tumilaar, Fatimawali Fatimawali, Nurdjannah Jane Niode, Yunus Effendi, Rinaldi Idroes, Ahmad Akroman Adam, Ahmed Rakib, Talha Bin Emran, Trina Ekawati Tallei
DOI: 10.7324/JAPS.2021.110112Pages: 101-110
Design, synthesis, and evaluation of some novel N-benzothiazol-2-yl benzamide derivatives as allosteric activators of human glucokinase
Sandeep Arora, Ajmer Singh Grewal, Neelam Sharma, Kunal Arora, Ervon Dhalio, Sukhbir Singh
DOI: 10.7324/JAPS.2021.11s104Pages: 038-047
Immunomodulatory potential of bioactive compounds of betel leaf extract targeting COVID-19 immunological human host proteins: An in silico study
Fatimawali, Marko Jeremia Kalalo, Siboantua Broolin Simanjuntak, Tri Andira Hebber, Billy Johnson Kepel, Trina Ekawati Tallei
DOI: 10.7324/JAPS.2021.120208Pages: 075-088
New hybrid scaffolds based on ASA/genistein: Synthesis, cytotoxic effect, molecular docking, drug-likeness, and in silico ADME/Tox modeling
Lizeth Gómez-R, Gustavo Moreno-Q, Angie Herrera-R, Wilson Castrillón-L, Andrés F. Yepes, Wilson Cardona-G
DOI: 10.7324/JAPS.2021.120203Pages: 015–030
Application of neural networks in the identification of pharmaceutical lead hits
Pukar Khanal, Kiran Kumar Hullatti
DOI: 10.7324/JAPS.2022.120302Pages: 016-022
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
ADME studies of TUG-770 (a GPR-40 inhibitor agonist) for the treatment of type 2 diabetes using SwissADME predictor: In silico study
Khaldun M. Al Azzam, El-Sayed Negim, Hassan Y. Aboul-Enein
DOI: 10.7324/JAPS.2022.120418Pages: 159-169
Chimeric vaccine against multi-drug resistant Mycobacterium tuberculosis using in silico reverse vaccinology approach
Arpita Batta , Vineeta Singh, Bhartendu Nath Mishra, Tapankumar N. Dhole, Prahlad Kishore Seth
DOI: 10.7324/JAPS.2022.120609Pages: 086-114
Computational study of kaurene diterpenoids for antivirals against SARS-CoV-2
Nurlela Nurlela, Fikry Awaluddin, Irmanida Batubara, Setyanto Tri Wahyudi
DOI: 10.7324/JAPS.2022.120812Pages: 112-129
In silico approach: Prediction of ADMET, molecular docking, and QSPR of secondary metabolites in Mangroves
Didi Nurhadi Illian, Anita Puspa Widiyana, Ani Riani Hasana, Hilda Maysarah, Shofiyah Sabilah Al Mustaniroh, Mohammad Basyuni
DOI: 10.7324/JAPS.2022.121103Pages: 021-029
Application of in silico methods in clinical research and development of drugs and their formulation: A scoping review
Luciana Ferreira Mattos Colli, Lúcio Mendes Cabral, Guacira Correa Matos, Carlos Rangel Rodrigues, Valeria Pereira de Sousa
DOI: 10.7324/JAPS.2023.87792Pages: 001-010
Muntingia calabura Leaves Extracts to Ameliorate chronic obstruction pulmonary diseases by Inhibiting IL-17a Signaling: In silico and in vivo studies
Nenden Nurhasanah, Parichat Phalanisong, Fadilah Fadilah, Anton Bahtiar
DOI: 10.7324/JAPS.2023.141546Pages: 169-189
In-silico approach towards thiophene incorporated 1,3-oxazepine using 5-HTT and 5-HT2AR receptors for antidepressant activity
Abhishek Kumar, Pankaj Kumar, S. Suhasini, P. Chaithanya, Gupta Dheeraj Rajesh, Suresh Suhasini, Periyadka Chaithanya
DOI: 10.7324/JAPS.2023.152093Pages: 190-200
Mapping T-cell furin cleavage site epitopes in SARS-CoV-2 spike protein sequences from the Philippines and global variants
Maria Crischen Perono, Jewel Pasion, John Sylvester Nas, Francisco III Heralde
DOI: 10.7324/JAPS.2024.150608Pages: 197-211
Mangosteen rind ethanol extract’s mechanism of action against SGLT-2 receptors: In silico and in vivo
Rifa’atul Mahmudah, Elin Yulinah Sukandar, I Ketut Adnyana
DOI: 10.7324/JAPS.2024.154705Pages: 238-246
HR-LCMS based phytochemical analysis and anticancer activity of Triumfetta rhomboidea with molecular docking approach
Nutan Kendre, Mohini Salunke, Balaji Wakure, Pravin Wakte
DOI: 10.7324/JAPS.2024.148412Pages: 209-219
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In silico design of new ketorolac bioisosteres as anti-inflammatory agents
César D. Gamarra-Sánchez, Cristhian N. Rodriguez-Silva, Angella Cordova-Muñoz, Lucero Asmad-Cruz, Carmen R. Silva-Correa, Víctor E. Villarreal-La Torre
DOI: 10.7324/JAPS.2024.162337Pages: 155-162
In silico approaches which are used in pharmacy
Mazen Al-Mohaya, Burcu Mesut, Asena Kurt, Yavuz Selim Çelik
DOI: 10.7324/JAPS.2024.154854Pages: 239-253
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Chromatographical fingerprint analysis, in silico investigation, and identification of hepatoprotective active compounds from Capparis decidua Edgwe (Forssk.)
Wadah Osman, Mohamed Mirghani, Mona Mohamed, Asmaa E. Sherif, Ahmed Ashour, Sherouk Hussein Sweilam, Hassan Subki
DOI: 10.7324/JAPS.2024.174125Pages: