Taxifolin acts as type I inhibitor for VEGFR-2 kinase: Stability evaluation by molecular dynamic simulation
Sharad Verma, Amit Singh, Abha Mishra
Pages: 41-46
Aquasomes: A Novel Drug Carrier
Sanjay S. Jain, Pramod S. Jagtap, Neha M. Dand, Kisan R. Jadhav, Vilasrao J. Kadam
Pages: 184-192
Molecular construction of NADH-cytochrome b5 reductase inhibition by flavonoids and chemical basis of difference in inhibition potential: Molecular dynamics simulation study
Sharad Verma, Amit Singh, Abha Mishra
DOI: 10.7324/JAPS.2012.2804Pages: 33-39
In silico analysis of phytochemical compounds for optimizing the inhibitors of HMG CoA reductase
J. Mercy Jasmine and R. Vanaja
DOI: 10.7324/JAPS.2013.3908Pages: 043-047
Identification of novel PPARγ agonist from GC-MS analysis of ethanolic extract of Cayratia trifolia (L.): a computational molecular simulation studies
Palanisamy CHELLA PERUMAL, Sundaram SOWMYA, Prabhakaran PRATIBHA, Balasubramanian VIDYA, Palanirajan ANUSOORIYA, Thangarajan STARLIN, Ramasamy VASANTH, D. JEYA SUNDRA SHARMILA, Velliyur Kanniappan GOPALAKRISHNAN
DOI: 10.7324/JAPS.2014.40902Pages: 006-011
Virtual screening of co-formers for ketoprofen co-crystallization and the molecular properties of the co-crystal
S. Siswandi, Taofik Rusdiana, Jutti Levita
DOI: 10.7324/JAPS.2015.50613Pages: 078-082
Synthesis, Evaluation and in silico studies of 1,8-Naphthyridine derivatives against antimicrobial activity
Sakshi Sachdeva, Sonam Bhatia, Amit Mittal, Manish Sinha
DOI: 10.7324/JAPS.2015.50709Pages: 053-059
Bioactive compounds from marine yeast inhibits lung cancer
Manikandaprabhu Sekar, Senthilraja Poomalai, Manivel Gunasekaran, Prakash Mani, Anand Krishnamurthy
DOI: 10.7324/JAPS.2015.58.S2Pages: 007-015
Interaction of Ketoconazole with Bovine Serum Albumin: Electrochemical, Spectroscopic and Molecular Modeling Studies
Babu Gowda, Mallappa M., Jayant I. Gowda, Raghavendran Rengasamy
DOI: 10.7324/JAPS.2015.58.S6Pages: 037-044
Computational studies on PLK1 delta gene in cancer diseases
K Aarthi, J Febin Prabhu Dass, Preeti Tabitha Louis, I Arnold Emerson
DOI: 10.7324/JAPS.2015.510.S13Pages: 074-079
In silico analysis of indole-3-carbinol and its metabolite DIM as EGFR tyrosine kinase inhibitors in platinum resistant ovarian cancer vis a vis ADME/T property analysis
Raju Dash, S. M. Zahid Hosen, Md. Rezaul Karim, Mohammad Shah Hafez Kabir, Mohammed Munawar Hossain, Md. Junaid, Ashekul Islam, Arkajyoti Paul, Mohammad Arfad Khan
DOI: 10.7324/JAPS.2015.501112Pages: 073-078
In silico investigation of black tea components on α-amylase, α-glucosidase and lipase
Satabdee Mohapatra, Alisha Prasad, Farhan Haque, Sonali Ray, Bratati De, Sirsendu Sekhar Ray
DOI: 10.7324/JAPS.2015.501207Pages: 042-047
Synthesis, Evaluation and Docking Study of 1, 3, 5-Triazine Derivatives as Cytotoxic Agents against Lung Cancer
Marwa F. Balaha, Mervat H. El-Hamamsy, Nabawya A. Sharaf El-Din, Nageh A.El-Mahdy
DOI: 10.7324/JAPS.2016.60405Pages: 028-045
Docking and ADME/T analysis of silibinin as a potential inhibitor of EGFR kinase for ovarian cancer therapy
S. M. Zahid Hosen, Mohammad Shah Hafez Kabir, Abul Hasanat, Tanvir Ahmad Chowdhury, Nishan Chakrabarty, Shanker Kumar Sarker, Md. Razibul Habib, Raju Dash
DOI: 10.7324/JAPS.2016.60801Pages: 001-005
Medium Molecular Weight Chitosan as a Carrier for Delivery of Lincomycin Hydrochloride from Intra-pocket Dental Film: Design, Development, in vitro and ex vivo Characterization
Reetika Ganjoo, Shashank Soni, Veerma Ram, Anurag Verma
DOI: 10.7324/JAPS.2016.601002Pages: 008-019
Immunostimulatory activity of brown seaweed-derived fucoidans at different molecular weights and purity levels towards white spot syndrome virus (WSSV) in shrimp Litopenaeus vannamei
Ellya Sinurat, Endang Saepudin, Rosmawaty peranginangin, Sumi Hudiyono
DOI: 10.7324/JAPS.2016.601011Pages: 082-091
Organic Arsenical Exposure Stimulates Atherosclerosis through Oxidative Stress Increase and Adhesion Molecule Expression
Afeez Adekunle Ishola, Norlelawati A.Talib, Naznin Muhammad, Zunariah Buyong, Abdul Hadi Mohamed, Yiyi Myint, Niza Samsuddin, Radiah Abdul Ghani, Norzamzila Abdullah
DOI: 10.7324/JAPS.2016.601107Pages: 040-051
Culture-independent quantification of Salmonellae in food by molecular beacon based real-time PCR
Rajesh Singh Tomar, Anurag Jyoti
DOI: 10.7324/JAPS.2016.601124Pages: 153-157
Synthesis, bioactivity and Docking Study of Some New Indole-hydrazone Derivatives
N. Sharaf El-Din, A. Barseem
DOI: 10.7324/JAPS.2016.601211Pages: 075-083
Synthesis and molecular docking of novel non-cytotoxic anti-angiogenic sulfonyl coumarin derivatives against hepatocellular carcinoma cells in vitro
Eslam R. El- Sawy, Manal Sh Ebaid, Hanaa M. Rady, Aziza B. Shalby, Khadiga M. Ahmed, Heba M. Abo-Salem
DOI: 10.7324/JAPS.2017.70207Pages: 049-066
Structure based Pharmacophore modeling, Virtual screening and Molecular Docking of Potential Phytochemicals against HSP70
Sangeetha Kothandan, R. P. Sasikala, K. S. Meena
DOI: 10.7324/JAPS.2017.70218Pages: 137-141
Evaluation of serum soluble E-selectin in breast cancer
Halla Mohamed Ragab, Mie Afify, Nervana Samy, Nabila Abd El Maksoud, HebatAllah Mohamed Shaaban
DOI: 10.7324/JAPS.2017.70309Pages: 057-061
Novel Thiadiazole Derivatives as Bcr-Abl Tyrosine Kinase Inhibitors
Vijayakumar Subramanian, Sulaiman Ali Muhammad, Kaveri Sundaram, Subban Ravi
DOI: 10.7324/JAPS.2017.70311Pages: 068-076
Towards the Identification of Novel Phytochemical Leads as Macrodomain Inhibitors of Chikungunya Virus Using Molecular Docking Approach
Santhanam Vijayasri, Waheeta Hopper
DOI: 10.7324/JAPS.2017.70410Pages: 074-082
Synthesis, antitumor evaluation and molecular modeling study of novel benzimidazoles and pyrazinobenzimidazoles
Ahmed A. B. Mohamed, Farid A. Badria, Azza R. Maarouf, Naglaa I. Abdel-Aziz, Fardous ElSenduny, Alaa A.M. Abdel-Aziz, Said M. Bayomi
DOI: 10.7324/JAPS.2017.70631Pages: 206-214
QSAR, Molecular Docking and Dynamics Studies of Pyrrolo[2,3-b]Pyridine Derivatives as Bruton’s Tyrosine Kinase Inhibitors
Ruslin, Nirwana, Muhammad Arba, Mukhsar, Daryono Hadi Tjahjono
DOI: 10.7324/JAPS.2017.71201Pages: 001-007
Cytotoxic activity screening of ethyl acetate fungal extracts derived from the marine sponge Neopetrosia chaliniformis AR-01
Muh. Ade Artasasta, Yanwirasti, Akmal Djamaan, Dian Handayani
DOI: 10.7324/JAPS.2017.71225Pages: 174-178
Site Partition Enhanced Shape Based Docking and Molecular Dynamics Studies of G-Protein Coupled Receptor Acting Natural Ligands
Santhanam Vijayasri, Waheeta Hopper
DOI: 10.7324/JAPS.2018.8104Pages: 021-028
Anti-inflammatory property of Parkia speciosa empty pod extract in human umbilical vein endothelial cells
Nor-Hidayah Mustafa, Azizah Ugusman, Juriyati Jalil, Yusof Kamisah
DOI: 10.7324/JAPS.2018.8123Pages: 152-158
Molecular docking study on the interaction between 2-substituted-4,5-difuryl Imidazoles with different Protein Target for antileishmanial activity
Julio Alberto Rojas Vargas, America García Lopez, Mariana Castro Piñol, Matheus Froeyen
DOI: 10.7324/JAPS.2018.8303Pages: 014-022
Computational investigation of marine bioactive compounds against E6 oncoprotein of Human Papilloma Virus-HPV16
Pavithra Dhamodharan, Nirmaladevi Ponnusamy, Rajasree Odumpatta, Sajitha Lulu, Mohanapriya Arumugam
DOI: 10.7324/JAPS.2018.8404Pages: 023-032
QSAR, Molecular Docking and Dynamics Studies of Quinazoline Derivatives as Inhibitor of Phosphatidylinositol 3-Kinase
Muhammad Arba, Ruslin, Waode Umi Kalsum, Armid Alroem, Muhammad Zakir Muzakkar, Ida Usman, Daryono Hadi Tjahjono
DOI: 10.7324/JAPS.2018.8501Pages: 001-009
Deciphering the Binding of Natural Terpenoids to Mycobacterium tuberculosis Type III Polyketide Synthase18 (PKS18): An In-Silico Approach
Akanksha Sharma, Mohammad Hayatul Islam, Nida Fatima, Tarun K. Upadhyay, M. Kalim A. Khan, Upendra N. Dwivedi, Rolee Sharma
DOI: 10.7324/JAPS.2018.8504Pages: 026-034
Synthesis, In Vitro Antiproliferative Evaluation and Molecular Docking of New tetrazole-chalcone and tetrazole-pyrazoline Hybrids
Heidi S. Abd ElMonaem, Naglaa I. Abdel-Aziz, Mohammad A. Morsy, Farid A. Badria, Fardous ElSenduny, Mahmoud B. El-Ashmawy, Mohamed A. Moustafa
DOI: 10.7324/JAPS.2018.8510Pages: 075-087
Ethanolic extract of pomegranate (Punica granatum L) peel: acute toxicity tests on zebrafish (Danio rerio) embryos and its toxicity prediction by in silico
Indra Wibowo, Kurnia Permadi, Rika Hartati, Sophi Damayanti
DOI: 10.7324/JAPS.2018.8611Pages: 082-086
Docking Evaluation of Catechin and its Derivatives on Fat Mass and Obesity-Associated (FTO) Protein for Anti-Obesity Agent
Tony Sumaryada, Renti Efraim Marimpola Simamora, Laksmi Ambarsari
DOI: 10.7324/JAPS.2018.8810Pages: 063-068
Antibacterial Activity of Ginger (Zingiber officinale) Leaves Essential Oil Nanoemulsion against the Cariogenic Streptococcus mutans
Nada M. Mostafa
DOI: 10.7324/JAPS.2018.8906Pages: 034-041
Molecular modeling of 4-fluoropyrrolidine-2-carbonitrile and octahydrocyclopenta[b]pyrrole-2-carbonitrile as a dipeptidyl peptidase IV (DPP4) inhibitor
Muhammad Arba, Ruslin Ruslin, Nur Illiyyin Akib, Yamin Yamin, Sabarudin Ombe, Jessi Jessi, Muhammad Zakir Muzakkar, Daryono Hadi Tjahjono
DOI: 10.7324/JAPS.2018.81001Pages: 001-007
Evaluation of Multifunction Bioactivities of Extracted Chitosan and their UV/Ozone Derivatives
Tamer I. M. Ragab, Gehan T. El-Bassyouni, Wafaa A. Helmy, Hanan A. A. Taie, Ahmed Refaat, Medhat A. Ibrahim, Eman Abd El-Hmeed, Mona A. Esawy
DOI: 10.7324/JAPS.2018.81008Pages: 053-062
Design, synthesis, and biological evaluation of 2-(4-(methylsulfonyl) phenyl) indole derivatives with promising COX-2 inhibitory activity
Ahmed M. M. Shaker, Eman K. A. Abdelall, Khaled R. A. Abdellatif , Hamdy M. Abdel-Rahman
DOI: 10.7324/JAPS.2018.81101Pages: 001-008
Computational approach toward targeting the interaction of porphyrin derivatives with Bcl-2
Muhammad Arba, Yamin, Sunandar Ihsan, Daryono Hadi Tjahjono
DOI: 10.7324/JAPS.2018.81208Pages: 060-066
In silico evaluation of Benzo (f) chromen-3-one as a potential inhibitor of NF-κB: A key regulatory molecule in inflammation-mediated pathogenesis of diabetes, Alzheimer’s, and cancer
Sandeep Kumar Gandham, Venkata Ramaiah Chintha, Rajendra Wudayagiri
DOI: 10.7324/JAPS.2018.81218Pages: 157-164
Screening of cytotoxic activities toward WiDr and Vero cell lines of ethyl acetate extracts of fungi-derived from the marine sponge Acanthostrongylophora ingens
Ibtisamatul Aminah, Andani Eka Putra, Dayar Arbain, Dian Handayani
DOI: 10.7324/JAPS.2019.90101Pages: 001-005
In silico predictive for modification of chalcone with pyrazole derivatives as a novel therapeutic compound for targeted breast cancer treatment
Riska Prasetiawati, Adel Zamri, Melisa Intan Barliana, Muchtaridi Muchtaridi
DOI: 10.7324/JAPS.2019.90203Pages: 020-028
Antimicrobial activity screening of endophytic fungi extracts isolated from brown algae Padina sp.
Dian Handayani, Nita Ananda, Muh. Ade Artasasta, Rustini Ruslan, Okmes Fadriyanti, Trina Ekawati Tallei
DOI: 10.7324/JAPS.2019.90302Pages: 009-013
Synthesis, anticancer activity, and docking study of N-acetyl pyrazolines from veratraldehyde
Tutik Dwi Wahyuningsih, Artania Adnin Tri Suma, Endang Astuti
DOI: 10.7324/JAPS.2019.90303Pages: 014-020
Molecular docking of various bioactive compounds from essential oil of Trachyaspermum ammi against the fungal enzyme Candidapepsin-1
Abhishek Biswal R., Venkataraghavan R., Vivek Pazhamalai, Ivo Romauld S.
DOI: 10.7324/JAPS.2019.90503Pages: 021-032
15N-NMR spectroscopic studies and investigation of spectral data property relationships of proton pump inhibitors
Bhanumathi Devi NC, Someswara Rao N., Tamal Ghosh, Alok Mukerjee
DOI: 10.7324/JAPS.2019.90608Pages: 061-066
Identification of polyketide synthase 13 inhibitor: Pharmacophore-based virtual screening and molecular dynamics simulation
Muhammad Arba, Andy-Nur Hidayat, Henny Kasmawati, Yamin Yamin, Ida Usman
DOI: 10.7324/JAPS.2019.90702Pages: 012-017
Angiotensin-converting enzyme inhibitory activity of polyphenolic compounds from Peperomia pellucida (L) Kunth: An in silico molecular docking study
Islamudin Ahmad, Azminah, Kamarza Mulia, Arry Yanuar, Abdul Munim
DOI: 10.7324/JAPS.2019.90804.1Pages: 025-031
Natural phytochemicals: Potential anti-HCV targets in silico approach
Arvind Kumar Shakya
DOI: 10.7324/JAPS.2019.90813Pages: 094-100
Molecular docking studies of bioactive compounds from the leaves of Epiphyllum oxypetalum against Treponema pallidum, Zika virus and liver cirrhosis
R. Abhishek Biswal, P. Jayashree, Kanna Mirunaalini, Vivek Pazhamalai
DOI: 10.7324/JAPS.2019.91109Pages: 069-077
Effects of low molecular weight galactomannans based standardized fenugreek seed extract in subjects with high fat mass: A randomized, double-blind, placebo-controlled clinical study
Pallavi Onkar Deshpande, Vivek Bele, Kedar Joshi, Prasad Arvind Thakurdesai
DOI: 10.7324/JAPS.2020.101008Pages: 062-069
Designing, molecular docking, and dynamics simulations studies of 1,2,3-triazole clamped Uracil-Coumarin hybrids against EGFR tyrosine kinase
Mohit Sanduja, Jyoti Gupta, Ravi Rawat, Uttam Singh, Saurabh M. Verma
DOI: 10.7324/JAPS.2020.103001Pages: 001-011
Computational study of the potential molecular target for antibreast cancer activity of limonoid derivatives from chisocheton sp
Nurlelasari Nurlelasari, Ade Rizqi Ridwan Firdaus, Desi Harneti, Nenden Indrayati, Umi Baroroh, Muhammad Yusuf
DOI: 10.7324/JAPS.2020.102002Pages: 007-012
Effect of aqueous root extract of Cynodon dactylon on the hemolytic activity of cardiotoxins from Indian cobra (Naja naja)
Suvathika Gnanaselvan, Thirunavukkarasu Sivaraman
DOI: 10.7324/JAPS.2020.103015Pages: 113-118
Synthesis of molecularly imprinted polymers of vanillic acid and extraction of vanillic acid from spiked blood serum
Showkat Ahmad Bhawani, Salma Bakhtiar, Rachel Roland, Syed Rizwan Shafqat, Mohamad Nasir Mohamad Ibrahim
DOI: 10.7324/JAPS.2020.104009Pages: 056-062
Molecular modeling, synthesis, and evaluation of 1-(4-methoxybenzofuran-5-yl)-3-phenylpropane-1, 3-dione for its anxiolytic potentiality
P Ayash Kumar, Sanjita Das, Sradhanjali Mohapatra, Saumya Priya Basu, Kalicharan Sharma, Monika Sharma, Aniruddh Pratap Singh
DOI: 10.7324/JAPS.2020.10816Pages: 139-144
In silico studies and biological evaluation of chalcone-based 1,5-benzothiazepines as new potential H1N1 neuraminidase inhibitors
Neni Frimayanti, Marzieh Yaeghoobi, Hamid Namavar, Ihsan Ikhtiarudin, Meysam Afzali
DOI: 10.7324/JAPS.2020.1010010Pages: 086-094
Novel hydroxycinnamamide from morpholine and pyrrolidine: Synthesis, characterization, docking study, and anticancer activity against P388 leukemia murine cells
Firdaus, Nunuk Hariani Soekamto, Syadza Firdausiah, Herlina Rasyid, Nur Asmi, Muzdalifah Waelulu
DOI: 10.7324/JAPS.2021.110104Pages: 040-048
Use of integrative bioinformatics to identify targets of sinensetin and its mechanisms to overcome colorectal cancer resistance
Adam Hermawan, Herwandhani Putri
DOI: 10.7324/JAPS.2021.110113Pages: 111-120
Synthesis of 2-styrylchromones: In vitro and in silico anticancer activity evaluation
Brilliana Via Safitri, Alfinda Novi Kristanti, Hery Suwito, Kautsar Ul Haq, Dicky Hendriyanto
DOI: 10.7324/JAPS.2021.110114Pages: 121-128
Identification of phenolic acids of Pandan anggur (Sararanga sinuosa Hemsley) fruits and their potential antiglycation through molecular docking study
Vita Purnamasari, Teti Estiasih, Hidayat Sujuti, Simon Bambang Widjanarko
DOI: 10.7324/JAPS.2021.110216Pages: 126-134
Protein-binding affinity of various condensed tannin molecular weights from tropical leaf peel
Siwaporn Paengkoum, Anan Petlum, Rayudika Aprilia Patindra Purba, Pramote Paengkoum
DOI: 10.7324/JAPS.2021.110314Pages: 114-120
Exploring the potentials of selected bioactive compounds isolated from Piper guineense Schumach. & Thonn. leaf toward identification of novel pfDHFR and pfDHODH inhibitors as antimalaria agents
Oluwafemi Adeleke Ojo
DOI: 10.7324/JAPS.2021.110418Pages: 153-158
Antibacterial evaluation and molecular properties of pyrazolo[3,4-b] pyridines and thieno[2,3-b]pyridines
Mervat A. Elsherif
DOI: 10.7324/JAPS.2021.110614Pages: 118-124
Phytochemical screening and in silico pharmacological profiling of ethanolic extract of Aframomum melegueta for prostate carcinoma
Asiat NaAllah, Yusuf Oloruntoyin Ayipo, Damilola Ibukun Komolafe, Sobiat Solihu, Bukola Bamidele, Mutiu Adewunmi Alabi, Abdul-Azeez Balogun, Azeemat Titilola Abdulazeez, Mohd Nizam Mordi
DOI: 10.7324/JAPS.2021.110715Pages: 132-145
Cytotoxicity and molecular mechanism of marine-derived Streptomyces sp. GMY01 on human lung cancer cell line A549
Ema Damayanti, Khoirun Nisa, Sri Handayani, Rizna Triana Dewi, Rifki Febriansah, Mustofa, Achmad Dinoto, Jaka Widada
DOI: 10.7324/JAPS.2021.110605Pages: 046-055
Green synthesis and in silico characterization of 4-Hydroxy-3- methoxybenzaldehyde Schiff bases for insulysin inhibition – a potential lead for type 2 diabetes mellitus
Sridevi Chigurupati, Vasanth Raj Palanimuthu, Suganya Kanagaraj, Sumathi Sundaravadivelu, Venkata Ramaiah Varadharajula
DOI: 10.7324/JAPS.2021.110706Pages: 063-071
Evaluating the effect of dopamine-geldanamycin hybrids on anticancer activity
Thongchai Taechowisan, Tipparat Samsawat, Chanjira Jaramornburapong, Weerachai Phutdhawong, Waya S. Phutdhawong
DOI: 10.7324/JAPS.2021.110713Pages: 117-126
System biology and chemoinformatics approaches to decode the molecular mechanisms of Chrysin against colon cancer
Namit Kudatarkar, Sunil Jalalpure, Vishal S. Patil, Bhaskar Kurangi
DOI: 10.7324/JAPS.2021.110907Pages: 057-065
Structural depiction and analysis of RasGap protein using molecular dynamics simulations
Virupaksha A. Bastikar, Pramodkumar P. Gupta, Piyush Kumar, Alpana Bastikar, Santosh S. Chhajed
DOI: 10.7324/JAPS.2021.110909Pages: 074-084
Evaluating the effect of amine-geldanamycin hybrids on anticancer activity
Tipparat Samsawat, Chanjira Jaramornburapong, Weerachai Phutdhawong, Waya S. Phutdhawong, Thongchai Taechowisan
DOI: 10.7324/JAPS.2021.110814Pages: 098-107
Nephroprotective activity of medicinal plants: A review on in silico-, in vitro-, and in vivo-based studies
Dani Sujana, Nyi Mekar Saptarini, Sri Adi Sumiwi, Jutti Levita
DOI: 10.7324/JAPS.2021.1101016Pages: 113-127
In-silico evaluation of Fragransol B from Myristica dactyloides for anti-inflammatory potential
Kuppuru Mallikarjunaiah Marulasiddaswamy, Bettadapura Rameshgowda Nuthan, Sunilkumar Channarayapatna-Ramesh, Shrisha Naik Bajpe, Shailasree Sekhar, Kukkundoor Ramachandra Kini
DOI: 10.7324/JAPS.2021.1101115Pages: 112-120
Isolation of phenolic constituents from Rhododendron yunnanense flowers as a potent cyclooxygenase-2 and vascular endothelial growth factor receptor-2 inhibitor: Phytochemical and molecular simulation studies
Mohamed Salaheldin Ahmed Abdelkader, Reda Ahmed Abdelhamid, Mohamed Ezzat Abouelela, Mostafa Ezzat Rateb, Marwa Hassan Ahmed
DOI: 10.7324/JAPS.2021.1101112Pages: 087-094
Potential protein antiglycation, antiproliferation, and in silico study on the antidiabetic enzymes of bioactive metabolites from Adonis microcarpa DC and their ADMET properties
Howaida Ibrahim Abd-Alla, Amal Zaki Hassan, Maha Mohamed Soltan, Ahmed Baker Abdelwahab, Atef Gobran Hanna
DOI: 10.7324/JAPS.2021.120110Pages: 106-119
2D- and 3D-QSAR, molecular docking, and virtual screening of pyrido[2,3-d]pyrimidin-7-one-based CDK4 inhibitors
Omar Husham Ahmed Al-Attraqchi, Mohd Nizam Mordi
DOI: 10.7324/JAPS.2021.120116Pages: 165-175
In-vitro and in-silico determinations of HMG-CoA reductase inhibition potential of caffeic acid for therapeutics of hypercholesterolemia
Heera Ram, Chandra kala, Karishma Sen, Anita Sakarwal, Jaykaran Charan, Paras Sharma, Rajsekhar Roy, Surajit Ghosh
DOI: 10.7324/JAPS.2021.120119Pages: 190-198
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
In silico screening of hispolon and its analogs: Pharmacokinetics and molecular docking studies with cyclooxygenase-2 enzyme
Mohadese Mohammadi, Mohammad Firoz Khan, Ridwan Bin Rashid, Sina Mirzaie Nokhostin, Mohammad A. Rashid
DOI: 10.7324/JAPS.2022.120509Pages: 120-128
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
Phytochemical screening, docking study, and in vitro assessment of cytotoxicity against MCF7 and 3T3 cell lines of Indonesian sea cucumber Stichopus sp.
Teni Ernawati , Minarti Minarti, Galuh Widiyarti, Megawati Megawati, Faiza Maryani
DOI: 10.7324/JAPS.2022.120411Pages: 096-107
Designing of next-generation dihydropyridine-based calcium channel blockers: An in silico study
Sujoy Karmakar, Hriday Kumar Basak, Uttam Paswan, Arun Kumar Pramanik, Abhik Chatterjee
DOI: 10.7324/JAPS.2022.120414Pages: 127-135
Quantitative structure–activity relationship study to predict the antibacterial activity of gemini quaternary ammonium surfactants against Escherichia coli
Ely Setiawan, Mudasir Mudasir
DOI: 10.7324/JAPS.2022.120710Pages: 099-105
Establishing a parallel compound screening method and identifying novel antimicrobial compounds targeting Staphylococcus aureus dihydrofolate reductase
Junpei Nakashima, Masamune Takeuchi, Shuhei Kawamoto, Kohei Monobe, Junichi Taira, Shunsuke Aoki
DOI: 10.7324/JAPS.2022.120805Pages: 036-047
Effect of Arbutus andrachne L. methanolic leaf extract on TRPV1 function: Experimental and molecular docking studies
Sahar Jaffal, Sawsan Oran, Mohammad Alsalem, Belal Al-Najjar
DOI: 10.7324/JAPS.2022.121007Pages: 069-077
Computational simulations of microalgae-derived bioactive compounds as a novel inhibitor against B-Raf V600E-driven melanoma
Fiddy Semba Prasetiya, Wanda Destiarani, Irene Retno Cahya Prihastaningtyas, Mochamad Untung Kurnia Agung, Muhammad Yusuf
DOI: 10.7324/JAPS.2023.10012Pages: 068-086
Tetrahydrobisbenzylisoquinoline alkaloids from Phaeanthus ophthalmicus inhibit target enzymes associated with type 2 diabetes and obesity
Joe Anthony H. Manzano, Lloyd Christian J. Llames, Allan Patrick G. Macabeo
DOI: 10.7324/JAPS.2023.154518Pages: 230-237
Identification of potential bioactive compounds from Azadirachta indica (Neem) as inhibitors of SARS-CoV-2 main protease: Molecular docking and molecular dynamics simulation studies
Donny Ramadhan, Firdayani Firdayani, Nihayatul Karimah, Elpri Eka Permadi, Sjaikhurrizal El Muttaqien, Agus Supriyono
DOI: 10.7324/JAPS.2023.139799Pages: 040-049
Identification of flavone and flavanone from ethyl acetate fraction of Caesalpinia sappan heartwood and tentative structure-activity relationship: An in vitro and in silico approach
Andrian Sucahyo, Moh. Farid Rahman, Husnul Khotimah, Widodo Widodo, Siti Mariyah Ulfa
DOI: 10.7324/JAPS.2023.92856Pages: 089-100
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Molecular modeling of lupeol for antiviral activity and cellular effects
P. B. Lalthanpuii, C. Lalrinmawia, B. Lalruatfela, Lal Ramliana, K. Lalchhandama
DOI: 10.7324/JAPS.2023.145048Pages: 131-143
Network pharmacology study of Phyllanthus niruri: Potential target proteins and their hepatoprotective activities
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