In silico pharmacology

Keyphrases

Publications

volume 12, number 2, 2024

Olanrewaju John Afees, Leviticus O Arietarhire, Oladimeji E Soremekun, Ezekiel A Olugbogi, Precious O Aribisala, Pelumi E Alege, Stephen O Adeleke, Toluwanimi O Afolabi, Abayomi O Sodipo
Reporting the anti-neuroinflammatory potential of selected spondias mombin flavonoids through network pharmacology and molecular dynamics simulations. In silico pharmacology 12 (2) (2024)
Kommidi Saritha, Munagala Alivelu, Mustafa Mohammad
Drug-likeness analysis, in silico ADMET profiling of compounds in Kedrostis foetidissima (Jacq.) Cogn, and antibacterial activity of the plant extract. In silico pharmacology 12 (2) (2024)
Tapas Das, Sutapa Datta, Arnab Sen
Revolutionizing Nipah virus vaccinology: insights into subunit vaccine development strategies and immunological advances. In silico pharmacology 12 (2) (2024)
Ahlam Haj Hasan, Gagan Preet, Rishi Vachaspathy Astakala, Hanan Al-Adilah, Emmanuel Tope Oluwabusola, Rainer Ebel, Marcel Jaspars
Antibacterial activity of natural flavones against bovine mastitis pathogens: in vitro, SAR analysis, and computational study. In silico pharmacology 12 (2) (2024)
Md Anamul Haq, Md Eram Hosen, Rakhi Rani, Alomgir Hossain, Mahmudur Rahman, Md Sagor Ali, Rashed Zaman, Md Khalekuzzaman, Md Asadul Islam, Amti Kumar Dutta, Uzzal Kumar Acharjee
GC-MS analysis and pharmacological potentiality of Lasia spinosa (L.) Thwaites leaves and fruit extracts: an in vitro and in silico studies. In silico pharmacology 12 (2) (2024)
Harshita Shand, Soumendu Patra, Bavya Chandrasekhar, Sharvari Kulkarni, Thirumurthy Madhavan, Suvankar Ghorai
In-silico binding affinity of a phage display library screened novel peptide against various FABPs. In silico pharmacology 12 (2) (2024)
Sukanth Kumar Enmozhi, Infant Xavier, Theepan Raaj, R Sarveswaran, Jeba Blessings, Yugesh Kesavamoorthy, Rahul Vivek, Kavitha Raja, Irudhayasamy Sebastine, Antony Jeffri, Sumathy Arockiasamy, Jerrine Joseph, Ananda Rani
Recuperative potential of Indian medicinal plant compounds- a tool to encumber henipaviruses: an in -silico study. In silico pharmacology 12 (2) (2024)
Abigail Kusiwaa Adomako, Edward Ntim Gasu, Jehoshaphat Oppong Mensah, Lawrence Sheringham Borquaye
Antileishmanial natural products as potential inhibitors of the Leishmania pteridine reductase: insights from molecular docking and molecular dynamics simulations. In silico pharmacology 12 (2) (2024)
Anjali Singh, Dhananjay Singh, Neeraj Tiwari, Pooja Mittal, Mohammed Haris Siddiqui, Nishu Mittal
Exploring the therapeutic potential of rosemary compounds against Alzheimer's disease through GC-MS and molecular docking analysis. In silico pharmacology 12 (2) (2024)
Poornima Gurivelli, Sunitha Katta
Unraveling Grewia bilamellata Gagnep. Role in cerebral ischemia: Comprehensive in vivo and in silico studies. In silico pharmacology 12 (2) (2024)
Samuel O Olalekan, Vincent A Obakachi, Abosede A Badeji, Oyesolape B Akinsipo Oyelaja, Oluwole Familoni, Olayinka T Asekun, Segun D Oladipo, Adejoke D Osinubi
Exploring the therapeutic potential of prolinamides as multi-targeted agents for Alzheimer's disease treatment: molecular docking and molecular dynamic simulation studies. In silico pharmacology 12 (2) (2024)
Esha Sarkar, Akanksha Kotiya, Afreen Khan, Rajabrata Bhuyan, Syed Tasleem Raza, Aparna Misra, Abbas Ali Mahdi
The combination of Curcumin and Doxorubicin on targeting PI3K/AKT/mTOR signaling pathway: an in vitro and molecular docking study for inhibiting the survival of MDA-MB-231. In silico pharmacology 12 (2) (2024)
Jahaan Shaikh, Salman Patel, Afzal Nagani, Moksh Shah, Siddik Ugharatdar, Ashish Patel, Drashti Shah, Dharti Patel
Pharmacophore mapping, 3D QSAR, molecular docking, and ADME prediction studies of novel Benzothiazinone derivatives. In silico pharmacology 12 (2) (2024)
Ahlam Haj Hasan, Gagan Preet, Rishi Vachaspathy Astakala, Hanan Al-Adilah, Emmanuel Tope Oluwabusola, Rainer Ebel, Marcel Jaspars
Antibacterial activity of natural flavones against bovine mastitis pathogens: in vitro, SAR analysis, and computational study. In silico pharmacology 12 (2) (2024)
Harshita Shand, Soumendu Patra, Bavya Chandrasekhar, Sharvari Kulkarni, Thirumurthy Madhavan, Suvankar Ghorai
In-silico binding affinity of a phage display library screened novel peptide against various FABPs. In silico pharmacology 12 (2) (2024)
Sukanth Kumar Enmozhi, Infant Xavier, Theepan Raaj, R Sarveswaran, Jeba Blessings, Yugesh Kesavamoorthy, Rahul Vivek, Kavitha Raja, Irudhayasamy Sebastine, Antony Jeffri, Sumathy Arockiasamy, Jerrine Joseph, Ananda Rani
Recuperative potential of Indian medicinal plant compounds- a tool to encumber henipaviruses: an in -silico study. In silico pharmacology 12 (2) (2024)
Sergey Shityakov, Carola Y Förster, Ekaterina Skorb
Comparative in silico analysis of CNS-active molecules targeting the blood-brain barrier choline transporter for Alzheimer's disease therapy. In silico pharmacology 12 (2) (2024)
Tapas Das, Sutapa Datta, Arnab Sen
Revolutionizing Nipah virus vaccinology: insights into subunit vaccine development strategies and immunological advances. In silico pharmacology 12 (2) (2024)
Olanrewaju John Afees, Leviticus O Arietarhire, Oladimeji E Soremekun, Ezekiel A Olugbogi, Precious O Aribisala, Pelumi E Alege, Stephen O Adeleke, Toluwanimi O Afolabi, Abayomi O Sodipo
Reporting the anti-neuroinflammatory potential of selected spondias mombin flavonoids through network pharmacology and molecular dynamics simulations. In silico pharmacology 12 (2) (2024)
Misbaudeen Abdul-Hammed, Ibrahim Olaide Adedotun, Modinat Wuraola Akinboade, Timilehin Adekunle Adegboyega, Oladele Muheez Salaudeen
Antibacterial activities, PASS prediction and ADME analysis of phytochemicals from Curcubita moschata , Curcubita maxima , and Irvingia gabonensis : insights from in silico studies. In silico pharmacology 12 (2) (2024)
Shradheya R R Gupta, Shivani Singh, Vanshika Rustagi, Monika Pahuja, Irengbam Rocky Mangangcha, Moses Rinchui, Saurabh K Jha, Archana Singh, Indrakant K Singh
Prognostic role of TEAD4 in TNBC: in-silico inhibition of the TEAD4-YAP interaction by flufenamic acid analogs. In silico pharmacology 12 (2) (2024)
Shradheya R R Gupta, Shivani Singh, Vanshika Rustagi, Monika Pahuja, Irengbam Rocky Mangangcha, Moses Rinchui, Saurabh K Jha, Archana Singh, Indrakant K Singh
Prognostic role of TEAD4 in TNBC: in-silico inhibition of the TEAD4-YAP interaction by flufenamic acid analogs. In silico pharmacology 12 (2) (2024)
Misbaudeen Abdul-Hammed, Ibrahim Olaide Adedotun, Modinat Wuraola Akinboade, Timilehin Adekunle Adegboyega, Oladele Muheez Salaudeen
Antibacterial activities, PASS prediction and ADME analysis of phytochemicals from Curcubita moschata , Curcubita maxima , and Irvingia gabonensis : insights from in silico studies. In silico pharmacology 12 (2) (2024)
Priyanka Joshi, Pankaja Pandey, Shilpi Rawat, Subhash Chandra
Repurposing of Drug Bank Compounds against Plasmodium falciparum Dihydroorotate Dehydrogenase as novel anti malarial drug candidates by Computational approaches. In silico pharmacology 12 (2) (2024)
Priyanka Joshi, Pankaja Pandey, Shilpi Rawat, Subhash Chandra
Repurposing of Drug Bank Compounds against Plasmodium falciparum Dihydroorotate Dehydrogenase as novel anti malarial drug candidates by Computational approaches. In silico pharmacology 12 (2) (2024)
Aruna Rawat, Samrat Chauhan, null Monika, Rahul Pratap Singh, Sumeet Gupta, Vikas Jhawat
Preclinical pharmacology and pharmacokinetics of curcumin tagged cilostazol nanodispersion for the management of diabetic nephropathy in wister rat model. In silico pharmacology 12 (2) (2024)
Esha Sarkar, Akanksha Kotiya, Afreen Khan, Rajabrata Bhuyan, Syed Tasleem Raza, Aparna Misra, Abbas Ali Mahdi
The combination of Curcumin and Doxorubicin on targeting PI3K/AKT/mTOR signaling pathway: an in vitro and molecular docking study for inhibiting the survival of MDA-MB-231. In silico pharmacology 12 (2) (2024)
Lokesh Ravi, Venkatesh Sadhana, Pratishtha Jain, Shree Kumari Godidhar Raghuram, Mohanasrinivasan V, Reji Manjunathan, Ajith Kumar Krishnan, Mookkandi Palsamy Kesavan
In silico analysis reveals α-amylase inhibitory potential of Taraxerol ( Coccinia indica ) and Epoxywithanolide-1 ( Withania coagulans ): a possible way to control postprandial hyperglycemia-induced endothelial dysfunction and cardiovascular events. In silico pharmacology 12 (2) (2024)
Jahaan Shaikh, Salman Patel, Afzal Nagani, Moksh Shah, Siddik Ugharatdar, Ashish Patel, Drashti Shah, Dharti Patel
Pharmacophore mapping, 3D QSAR, molecular docking, and ADME prediction studies of novel Benzothiazinone derivatives. In silico pharmacology 12 (2) (2024)
Vivek Panwar, Sounok SenGupta, Saroj Kumar, Praveen P Singh, Arun Kumar, Shavkatjon Azizov, Manoj K Gupta, Deepak Kumar
Discovery, lead identification and exploration of potential oxadiazole derivatives in targeting STAT3 as anti-cancer agents. In silico pharmacology 12 (2) (2024)
Jailani Shiekmydeen, Tanisha, Sonam Sharma, Kishor Chakraborty, Dhanapal Chidambaram Kannaiyan, Noohu Abdulla Khan, Rajkumar Malayandi
Optimization of wet granulation process for manufacturing Rivaroxban generic immediate-release tablets using PBPK modeling and simulations. In silico pharmacology 12 (2) (2024)
Jailani Shiekmydeen, Tanisha, Sonam Sharma, Kishor Chakraborty, Dhanapal Chidambaram Kannaiyan, Noohu Abdulla Khan, Rajkumar Malayandi
Optimization of wet granulation process for manufacturing Rivaroxban generic immediate-release tablets using PBPK modeling and simulations. In silico pharmacology 12 (2) (2024)
Daniel Danladi Gaiya, Muhammad Aliyu, Joy Sim Musa, Richard Auta, Anthony John Dadah, Rachael Oluwafunmilayo Bello, Madinat Hassan, Samuel Sunday Eke, Rebecca Imoo Odihi, Musa Sankey
In silico analysis of balsaminol as anti-viral agents targeting SARS-CoV-2 main protease, spike receptor binding domain and papain-like protease receptors. In silico pharmacology 12 (2) (2024)
Shahnila Qureshi, Nadeem Ahmed, Hafiz Muhammad Rehman, Muhammad Imran Amirzada, Fiza Saleem, Kainat Waheed, Afeefa Chaudhry, Iram Kafait, Muhammad Akram, Hamid Bashir
Investigation of therapeutic potential of the Il24-p20 fusion protein against breast cancer: an in-silico approach. In silico pharmacology 12 (2) (2024)
Olugbenga Eyitayo Adeyemi, Kiri Hashimu Jaryum, Titilayo Omolara Johnson
Elucidation and active ingredient identification of aqueous extract of Ficus exasperata Vahl leaf against bisphenol A-induced toxicity through in vivo and in silico assessments. In silico pharmacology 12 (2) (2024)
Olugbenga Eyitayo Adeyemi, Kiri Hashimu Jaryum, Titilayo Omolara Johnson
Elucidation and active ingredient identification of aqueous extract of Ficus exasperata Vahl leaf against bisphenol A-induced toxicity through in vivo and in silico assessments. In silico pharmacology 12 (2) (2024)
Sergey Shityakov, Carola Y Förster, Ekaterina Skorb
Comparative in silico analysis of CNS-active molecules targeting the blood-brain barrier choline transporter for Alzheimer's disease therapy. In silico pharmacology 12 (2) (2024)
Daniel Danladi Gaiya, Muhammad Aliyu, Joy Sim Musa, Richard Auta, Anthony John Dadah, Rachael Oluwafunmilayo Bello, Madinat Hassan, Samuel Sunday Eke, Rebecca Imoo Odihi, Musa Sankey
In silico analysis of balsaminol as anti-viral agents targeting SARS-CoV-2 main protease, spike receptor binding domain and papain-like protease receptors. In silico pharmacology 12 (2) (2024)
Elijah Kolawole Oladipo, Temitope Michael Akinleye, Stephen Feranmi Adeyemo, Modinat Wuraola Akinboade, Kehinde Favour Siyanbola, Victoria Ademide Adetunji, Olukayode Abimbola Arowosegbe, Victoria Kehinde Olatunji, Esther Oluwadarasimi Adaramola, Hezekiah Omotayo Afolabi, Christianah Damilola Ajani, Taiwo Pleasure Siyanbola, Elizabeth Oluwatoyin Folakanmi, Boluwatife Ayobami Irewolede, Olalekan John Okesanya, Olumide Faith Ajani, Olumuyiwa Elijah Ariyo, Esther Moradeyo Jimah, Bamidele Abiodun Iwalokun, Olatunji Matthew Kolawole, Julius Kola Oloke, Helen Onyeaka
mRNA vaccine design for Epstein-Barr virus: an immunoinformatic approach. In silico pharmacology 12 (2) (2024)
Abigail Kusiwaa Adomako, Edward Ntim Gasu, Jehoshaphat Oppong Mensah, Lawrence Sheringham Borquaye
Antileishmanial natural products as potential inhibitors of the Leishmania pteridine reductase: insights from molecular docking and molecular dynamics simulations. In silico pharmacology 12 (2) (2024)
Elijah Kolawole Oladipo, Temitope Michael Akinleye, Stephen Feranmi Adeyemo, Modinat Wuraola Akinboade, Kehinde Favour Siyanbola, Victoria Ademide Adetunji, Olukayode Abimbola Arowosegbe, Victoria Kehinde Olatunji, Esther Oluwadarasimi Adaramola, Hezekiah Omotayo Afolabi, Christianah Damilola Ajani, Taiwo Pleasure Siyanbola, Elizabeth Oluwatoyin Folakanmi, Boluwatife Ayobami Irewolede, Olalekan John Okesanya, Olumide Faith Ajani, Olumuyiwa Elijah Ariyo, Esther Moradeyo Jimah, Bamidele Abiodun Iwalokun, Olatunji Matthew Kolawole, Julius Kola Oloke, Helen Onyeaka
mRNA vaccine design for Epstein-Barr virus: an immunoinformatic approach. In silico pharmacology 12 (2) (2024)
Md Liakot Ali, Fabiha Noushin, Eva Azme, Md Mahmudul Hasan, Neamul Hoque, Afroz Fathema Metu
Marine natural compounds as potential CBP bromodomain inhibitors for treating cancer: an in-silico approach using molecular docking, ADMET, molecular dynamics simulations and MM-PBSA binding free energy calculations. In silico pharmacology 12 (2) (2024)
Poornima Gurivelli, Sunitha Katta
Unraveling Grewia bilamellata Gagnep. Role in cerebral ischemia: Comprehensive in vivo and in silico studies. In silico pharmacology 12 (2) (2024)
Anjali Singh, Dhananjay Singh, Neeraj Tiwari, Pooja Mittal, Mohammed Haris Siddiqui, Nishu Mittal
Exploring the therapeutic potential of rosemary compounds against Alzheimer's disease through GC-MS and molecular docking analysis. In silico pharmacology 12 (2) (2024)
Dwaipayan Chaudhuri, Satyabrata Majumder, Joyeeta Datta, Kalyan Giri
In silico fragment-based design and pharmacophore modelling of therapeutics against dengue virus envelope protein. In silico pharmacology 12 (2) (2024)
Gopinath Murugan, Gugan Kothandan, Rajashree Padmanaban
Anticipatory in silico vaccine designing based on specific antigenic epitopes from Streptococcus mutans against diabetic pathogenesis. In silico pharmacology 12 (2) (2024)
Kaathambari Purushothaman, Esaimozhi Sivasankar, Monika Krishnamoorthy, Keerthana Karunakaran, Rajiniraja Muniyan
Computational identification of potential tau tubulin kinase 1 (TTBK1) inhibitors: a structural analog approach. In silico pharmacology 12 (2) (2024)
Md Anamul Haq, Md Eram Hosen, Rakhi Rani, Alomgir Hossain, Mahmudur Rahman, Md Sagor Ali, Rashed Zaman, Md Khalekuzzaman, Md Asadul Islam, Amti Kumar Dutta, Uzzal Kumar Acharjee
GC-MS analysis and pharmacological potentiality of Lasia spinosa (L.) Thwaites leaves and fruit extracts: an in vitro and in silico studies. In silico pharmacology 12 (2) (2024)
Guanhua Yue, Heze Gu, Kuocheng Zhang, YuanLong Song, Yangguang Hao
ACE inhibitors from Suaeda salsa : 3D-QSAR modeling, metabolomics, molecular docking and molecular dynamics simulations. In silico pharmacology 12 (2) (2024)
Guanhua Yue, Heze Gu, Kuocheng Zhang, YuanLong Song, Yangguang Hao
ACE inhibitors from Suaeda salsa : 3D-QSAR modeling, metabolomics, molecular docking and molecular dynamics simulations. In silico pharmacology 12 (2) (2024)