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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

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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

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Systems Biology paves Pathway and Potential Enzymes Predictions towards Anticancer Drug Methyl Jasmonate Biosynthesis

Dipankar Ghosh

DOI: 10.7324/JAPS.2017.70921Pages: 153-159

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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

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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

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In Silico Study of Pyrazolylaminoquinazoline Toxicity by Lazar, Protox, and Admet Predictor

Supandi, Yeni, Fajar Merdekawati

DOI: 10.7324/JAPS.2018.8918Pages: 119-129

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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Application of neural networks in the identification of pharmaceutical lead hits

Pukar Khanal, Kiran Kumar Hullatti

DOI: 10.7324/JAPS.2022.120302Pages: 016-022

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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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: 112-124

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GC-MS and in silico analyses revealed the potential inhibitory activity of compounds isolated from Ciplukan herb (Physalis angulata L.) targeting GLUT-4 receptors

Rita Rakhmawati, Setyanto Tri Wahyudi, Mae Sri Hartati Wahyuningsih, Mustofa Mustofa, Ahmad Hamim Sadewa

DOI: 10.7324/JAPS.2024.171953Pages: 142-149

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Safflower extract (Carthamus tinctorius Linn.) suppresses proinflammatory cytokines level in rheumatoid arthritis mice model stimulated by complete Freund’s adjuvants

Adryan Fristiohady, Taifo Mahmud, Jia Tuan Maming, Arfan Arfan, Asriullah Jabbar, Muhammad Ilyas Yusuf, La Ode Muhammad Julian Purnama, Lidya Agriningsih Haruna, Wirhamsah Al Ramadan, Wahyuni Wahyuni, Rini Hamsidi, Rathapon Asasutjarit, Idin Sahidin

DOI: 10.7324/JAPS.2024.189008Pages:

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