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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

Mechanism of Relaxant Action of Ethyl 6-amino-5-cyano-2-methyl- 4-(pyridin-4-yl)-4H-pyran-3-carboxylate Mainly Through Calcium Channel Blockade in Isolated Rat Trachea

Soledad Alemán-Pantitlán, César Millán-Pacheco, Miguel A. Vázquez, Fernando Hernández-Borja, Rafael Villalobos-Molina, Blanca Bazán-Perkins, Samuel Estrada-Soto

DOI: 10.7324/JAPS.2016.601004Pages: 029-036

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

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

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

Accessing the Anti-Proliferating Activity of Tankyrase-2 Inhibitors via 2D, 3D-QSAR and Molecular Docking: Assessment of Structure Activity Relationships

Mervat H. El-Hamamsy

DOI: 10.7324/JAPS.2017.71203Pages: 014-027

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

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

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

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 M^pro 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

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

In-silico screening of potential anti-androgenic and anti-estrogenic phytocompounds from Saraca asoca for polycystic ovary syndrome treatment

Himaja Kuppachi, Veerapandiyan Kandasamy, Usha Balasundaram

DOI: 10.7324/JAPS.2024.146675Pages: 261-272

In silico and in vitro anti-cancer activity against breast cancer cell line MCF-7 of amide cinnamate derivatives

Teni Ernawati, Nina Artanti, Yudhi Dwi Kurniawan

DOI: 10.7324/JAPS.2024.162177Pages: 102-107

Secondary metabolites from the leaves of Terminalia myriocarpa and their α-glucosidase inhibitory potential

Ann G. Boulis, Soheir M. El Zalabani, Neveen S. Ghaly, Omar M. Sabry, May A. El-Manawaty, Ahmed H. Afifi, Farouk R. Melek

DOI: 10.7324/JAPS.2024.170866Pages: 244-251

Thiophene-based N-phenyl pyrazolines: Synthesis, anticancer activity, molecular docking and ADME study

Istna Chunaifah, Riska Elya Venilita, Putra Jiwamurwa Pama Tjitda, Endang Astuti, Tutik Dwi Wahyuningsih

DOI: 10.7324/JAPS.2024.146832Pages: 063-071

Molecular target identification of two Coleus amboinicus leaf isolates toward lung cancer using a bioinformatic approach and molecular docking-based assessment

Winarto Haryadi, Kasta Gurning, Endang Astuti

DOI: 10.7324/JAPS.2024.164753Pages: 203-210

Site-directed mutagenesis of recombinant penicillin-G acylase from Escherichia coli and effect on the hydrolytic activity

Sunni Sofiah Aniqah, Sismindari Sismindari, Purwanto Purwanto

DOI: 10.7324/JAPS.2024.175332Pages: 143-156

In silico screening and identification of lead molecules from Garcinia gummi-gutta with multitarget activity against SARS-CoV-2

Keerthi J. Sugathan, Sivanandan Sreekumar, Biju Charuvila Kamalan

DOI: 10.7324/JAPS.2024.150413Pages: 124-132

Investigating the activity of Quinazoline derivatives against T790 mutant EGFR receptors employing computer-aided drug design

Deepika Dinesh Adottu, Afanamol Mankulathil Shajahan, Shifa Ali Koolaparambil, Shebina Pareed Rasheed, Ajeesh Vengamthodi, Suhail Pattilthodika, Arun Rasheed

DOI: 10.7324/JAPS.2024.188300Pages: 069-075

Shedding light on Paraconiothyrium brasiliense: Secondary metabolites, biological activities, and computational studies

Sabrin R. M. Ibrahim, Abdulrahim A. Alzain, Fatima A. Elbadwi, Abdulrahman E. Koshak, Aram Hamad AlSaedi, Ahmed Ashour, Wadah Osman, Ikhlas A. Sindi, Selwan M. El-Sayed, Abdelbasset A. Farahat, Ahmed H.E. Hassan, Gamal A. Mohamed

DOI: 10.7324/JAPS.2024.184503Pages: 035-052

Alkenylated phenolics from Syzygium lineatum with antiproliferative activity against chronic myeloid leukemia cells

Franklin V. Ibana, Von Novi O. de Leon, Joe Anthony H. Manzano, Agnes L. Castillo, Allan Patrick G. Macabeo

DOI: 10.7324/JAPS.2024.170186Pages: 070-077

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

Network pharmacology and molecular docking reveals the therapeutic mechanism of Musa acuminata against obsessive-compulsive disorder

Hasan Ansari, Prekshi Garg, Rashmi K. S, Grisilda Vidya Bernhardt, Prachi Srivastava

DOI: 10.7324/JAPS.2024.154791Pages: 182-187

Network pharmacology approach to investigate the molecular mechanism of DLBS2411 (Cinnamomum burmannii) as a gastritis treatment

Jeni Rustan, Adi Yulandi, Raymond Rubianto Tjandrawinata

DOI: 10.7324/JAPS.2024.161905Pages: 255-263

An evaluation of Sargassum cinctum anticancer properties utilizing in vitro testing and molecular docking, with assistance from GC-HRMS and FTIR

Mohini Salunke, Preeti Mane, Smita Kumbhar, Balaji Wakure

DOI: 10.7324/JAPS.2024.184768Pages: 169-181

Computational analysis of Salmalia malabarica (Bombax ceiba) for the management of ulcerative colitis

Savita Bhosale, Prashant G. Jadar, Sunil S. Jalalpure, Vishal S. Patil, Kashinath Hiremath

DOI: 10.7324/JAPS.2024.161733Pages: 189-195

Integrating ligand and structure-based discovery approaches to unravel potential novel glyoxalase-I inhibitors

Roa’a Bani-Khalaf, Qosay Al-Balas, Soraya Alnabulsi

DOI: 10.7324/JAPS.2024.193801Pages: 139-152

Flavonoid compound of red fruit papua and its derivatives against sars-cov-2 mpro: An in silico approach

Agus Dwi Ananto, Harno Dwi Pranowo, Winarto Haryadi, Niko Prasetyo

DOI: 10.7324/JAPS.2024.177392Pages: 090-097

In silico design of sitagliptin bioisosteres as new inhibitors of Mpro SARS-CoV-2

Abelardo Abad-Giron, Lucero Asmad-Cruz, Angella M. Cordova-Muñoz, Cesar D. Gamarra-Sanchez, Carmen R. Silva-Correa, Víctor E. Villarreal-La Torre

DOI: 10.7324/JAPS.2024.192856Pages: 145-155

Evaluation of PPAR gamma agonists: A molecular docking and QSAR study of chalcone analog

Ruchita N. Pingale, Kumar Pratyush, Bhaveshwari Wagh, Ankita A. Jain, Raghu Prasad Mailavaram

DOI: 10.7324/JAPS.2024.190652Pages:

Cinnamate-amine hybrids: Antituberculosis activity and molecular docking

Nur Pasca Aijijiyah, Reni Rahayu, Alfatchu Srilistiani, Farah Mahzumi, Tinezsia Aulia, Liangga Santoso, Lukman Atmaja, Eko Santoso, Arif Fadlan, Mardi Santoso

DOI: 10.7324/JAPS.2024.189426Pages: 060-067

Molecular docking and molecular dynamics simulation of glycyrrhizic acid in multitarget agents as potential inhibitors of respiratory influenza viruses

Aarati Ramesh Supekar, Santosh Bhujbal, Rashmi Yadav

DOI: 10.7324/JAPS.2025.197023Pages: