Molecular Docking and Simulation studies of Farnesyl Trasnferase with the potential inhibitor Theflavin
R. Balajee, M. S. Dhana Rajan
Pages: 141-148
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
In silico Analysis of 3D-QSAR and Molecular Docking for Bcl-2 Inhibitors to Potential Anticancer Drug Development
Ramachandran M, Balwin Nambikkairaj, Kumaran K, Arun Kumar De and G.Ramesh Kumar
DOI: 10.7324/JAPS.2013.31005Pages: 023-029
3D QSAR and Pharmacophore Modelling on Chalcones as Antileishmanial Agents potential Trypanothione reductase Inhibitors
Sujit Arun Desai, Santosh Sahedeo Kumbhar, Vishal Shankar Katti, Prafulla Balkrishna Choudhari, Manish Sudesh Bhatia
DOI: 10.7324/JAPS.2013.31218Pages: 099-102
Relaxant effect of 7-ethoxy-4-methyl-2H-chromen-2-one by calcium channel blockade: computational and ex vivo studies
Amanda Sánchez-Recillas, Gabriel Navarrete-Vázquez, César Millán-Pacheco, Berenice Aguilar-Guadarrama, Rolffy Ortiz-Andrade, SamuelEstrada-Soto
DOI: 10.7324/JAPS.2014.40107Pages: 046-051
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
The molecular docking of 1,4-naphthoquinone derivatives as inhibitors of Polo-like kinase 1 using Molegro Virtual Docker
Susi Kusumaningrum, Emil Budianto, Soleh Kosela, Wahono Sumaryono, Fifit Juniarti
DOI: 10.7324/JAPS.2014.4119Pages: 047-053
Design, synthesis, molecular docking of new thiopyrimidine-5-carbonitrile derivatives and their cytotoxic activity against HepG2 cell line
Ahmad F. Eweas, Qasem M.A. Abdallah, Emad S.I. Hassan
DOI: 10.7324/JAPS.2014.41218Pages: 102-111
Synthesis, molecular docking and QSAR studies of 2, 4-disubstituted thiazoles as antimicrobial agents
Preeti Arora, Rakesh Narang, Sonam Bhatia, Surendra Kumar Nayak, Sachin Kumar Singh, Balasubramanian Narasimhan
DOI: 10.7324/JAPS.2015.50206Pages: 028-042
Potential activity of some natural products compounds as Neuraminidase inhibitors based on molecular docking simulation and in vitro test
Muchtaridi Muchtaridi, Ady Aliyudin, Holis Abdul Holik
DOI: 10.7324/JAPS.2015.54.S11Pages: 065-073
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
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 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
Homology Modeling of DNA polymerases of Herpesviridae family and structure-based virtual screening for inhibitor identification
Subhashini Pandey, Jitender Kumar, N. K. Srivastava, Som Dutt
DOI: 10.7324/JAPS.2015.501208Pages: 048-055
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
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
Molecular Docking Studies of Phytoconstituents Identified in Crocus sativus, Curcuma longa, Cassia occidentalis and Moringa oleifera on Thymidylate Synthase – An Enzyme Target for Anti-Cancer Activity
Nikitha K. Heble, Rishitha Chowdary Mavillapalli, Ramesh Selvaraj, Srikanth Jeyabalan
DOI: 10.7324/JAPS.2016.601218Pages: 131-135
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
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
Molecular Docking studies of Synthetic and Natural compounds against cFLIP protein in cancer
C. Nagamani, K. Devi, G. Sridharbabu, Vadlakonda Rajashekar, Sreenivas Enaganti
DOI: 10.7324/JAPS.2017.70317Pages: 109-112
GC-MS analysis and in-silico antipsychotic activity of Morinda citrifolia (Indian Noni)
Srikanth Jeyabalan, Kavimani Subramanian, Uma Maheswara Reddy Cheekala, Chitra Krishnan
DOI: 10.7324/JAPS.2017.70412Pages: 089-095
QSAR and Molecular Docking of Phthalazine Derivatives as Epidermal Growth Factor Receptor (EGFR) Inhibitors
Monika G. Shinde, Siddharth J. Modi, Vithal M. Kulkarni
DOI: 10.7324/JAPS.2017.70427Pages: 181-191
Synthesis, Docking Studies and Anticancer Activity of New Substituted Pyrimidine and Triazolopyrimidine Glycosides
Wael A. El-Sayed, Ashraf M. Mohamed, Hemat S. Khalaf, Dina S. EL-Kady, May Al-Manawaty
DOI: 10.7324/JAPS.2017.70901Pages: 001-011
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
Synthesis, Pharmacological Evaluation, Molecular Docking and in silico ADMET Prediction of Nitric Oxide Releasing Biphenyls as Anti-Inflammatory Agents
Monika G. Shinde, Siddharth J. Modi, Vithal M. Kulkarni
DOI: 10.7324/JAPS.2017.71006Pages: 037-047
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
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 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
Antibiofilm activity and molecular docking studies of bioactive secondary metabolites from endophytic fungus Aspergillus nidulans on oral Candida albicans
S. S. Meenambiga, K. Rajagopal
DOI: 10.7324/JAPS.2018.8306Pages: 037-045
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
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
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
Molecular-Docking Study of Anti-Stress Natural Compounds Against GABAa Receptor Portends the Novel Approach to Stress Treatment
Abhishek Negi, Parul Singh, Nancy Taneja, Shalini Mani
DOI: 10.7324/JAPS.2018.81205Pages: 038-043
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
Virtual screening of natural and synthetic inhibitors of cyclooxygenase COX-2 enzyme using docking-scoring functions
Mesli Fouzia, Bouchentouf Salim
DOI: 10.7324/JAPS.2019.90104Pages: 020-027
Inhibition of dipeptidyl peptidase IV by fexofenadine: Virtual screening study
Ihab M. Almasri, Mohammad K. Mohammad, Mutasem O. Taha
DOI: 10.7324/JAPS.2019.90105Pages: 028-032
Docking studies of biologically active substances from plant extracts with anticonvulsant activity
Yuliya S. Prokopenko, Lina O. Perekhoda, Victoriya A. Georgiyants
DOI: 10.7324/JAPS.2019.90110Pages: 066-072
3D-QSAR, molecular docking, and dynamics simulation of quinazoline–phosphoramidate mustard conjugates as EGFR inhibitor
Ruslin Ruslin, Resky Amelia, Yamin Yamin, Sandra Megantara, Chun Wu, Muhammad Arba
DOI: 10.7324/JAPS.2019.90113Pages: 089-097
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
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
The anti-venom potential of Andrographis paniculata (Burm.f.) Nees roots and its constituent skullcapflavone I
Maria Carmen S. Tan, Raymond S. Malabed, Francisco C. Franco Jr., Yves Ira A. Reyes, Daisylyn Senna Tan, Glenn G. Oyong, Chien-Chang Shen, Consolacion Y. Ragasa
DOI: 10.7324/JAPS.2019.90311Pages: 073-081
In-silico study of flavonoids from Cassia tora as potential anti-psoriatic agent
Ibezim Akachukwu, Ezechukwu Emmanuel Amara
DOI: 10.7324/JAPS.2019.90410Pages: 082-087
3D-QSAR, molecular docking and dynamics simulation of difluorophenol pyridine derivatives as RSK2 inhibitor
Muhammad Arba, Hamzah Azali, Sabarudin Ombe, Alrum Armid, Ida Usman
DOI: 10.7324/JAPS.2019.90601Pages: 001-009
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
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
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
3D QSAR and docking studies on benzoylsulfonohydrazides as histone acetyltransferase KAT6A inhibitors
MD. Muzaffar-Ur-Rehman, Syed Akbar, Asra Ali Bahazeq
DOI: 10.7324/JAPS.2020.10504Pages: 023-030
Novel aminoalkylated chalcone: Synthesis, biological evaluation, and docking simulation as potent antimalarial agents
Jufrizal Syahri, Hasmalina Nasution, Beta Achromi Nurohmah, Bambang Purwono, Emmy Yuanita
DOI: 10.7324/JAPS.2020.10601Pages: 001-005
Synthesis, docking study, and pharmacological evaluation of S-acetamide derivatives of 4,6-dimethyl-2-thiopyrimidine as anticonvulsant agents
Hanna Ivanivna Severina, Olha Olegivna Skupa, Natalya Ivanivna Voloshchuk, Victoriya Akopivna Georgiyants
DOI: 10.7324/JAPS.2020.10701Pages: 001-008
New benzimidazole derivatives as inhibitors of Pteridine reductase 1: Design, molecular docking study and ADMET prediction
Shraddha Phadke, Rakesh Somani, Devender Pathak
DOI: 10.7324/JAPS.2020.10904Pages: 030-039
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
Molecular docking study of Xanthyl Chalcone derivatives as potential inhibitor agents against KIT tyrosine kinase and KIT kinase domain mutant D816H
Muthia Rahayu Iresha, Jumina Jumina, Harno Dwi Pranowo
DOI: 10.7324/JAPS.2020.10113Pages: 018-026
In silico studies on pyrazine derivatives for identifying potential inhibitors of PIM-1 kinase
Amena Ali, Abuzer Ali, Mohd. Washid Khan, Abutahir, Ibraheem Husain, Kuldeep Patel, Vivek Asati
DOI: 10.7324/JAPS.2020.10116Pages: 040-049
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
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
Design and synthesis of novel 4-aminophenazone Schiff bases by grinding technique as prospective anti-inflammatory agents
Rashmi Arora, Rishi Sharma, Abhishek Tageza, Ajmer Singh Grewal, Balraj Saini, Sandeep Arora, Rajwinder Kaur
DOI: 10.7324/JAPS.2021.11s105Pages: 048-053
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
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
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
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
Novel glitazone attenuates rotenone-induced toxicity in mouse model of Parkinson’s disease
Ankith B. Shetty, Kamsagara Linganna Krishna, Bommenahally Ravanappa Prashantha Kumar, Hittanahalli Shivakumar Nandini
DOI: 10.7324/JAPS.2021.1101007Pages: 042-049
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
Enzymatic production of 4-cholesten-3-one using cholesterol oxidase from Bacillus cereus strain KAVK5 and its potentiality toward the inhibition of disease-associated proteins an in silico approach
Kokila Vasanthakumar, Amutha Kuppusamy
DOI: 10.7324/JAPS.2022.121006Pages: 055-068
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
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
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
In silico analysis of potential inhibitors of aldose reductase
Padmini Nadavapalli, Pavani Nadavapalli, Kavya Sritha Bojja, Kavishankar Gawli
DOI: 10.7324/JAPS.2023.133637Pages: 140-152
Study on chloroquine containing ability of minicells derived from Lactobacillus acidophilus ATCC 4356
Tu My Ho, Yen Thi Hai Tran, Tu Hoang Khue Nguyen
DOI: 10.7324/JAPS.2024.22371Pages: 091-096
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