Búsqueda | BVS CLAP/SMR-OPS/OMS

1.

QSAR, Molecular Docking, MD Simulation and MMGBSA Calculations Approaches to Recognize Concealed Pharmacophoric Features Requisite for the Optimization of ALK Tyrosine Kinase Inhibitors as Anticancer Leads.

Jawarkar, Rahul D; Sharma, Praveen; Jain, Neetesh; Gandhi, Ajaykumar; Mukerjee, Nobendu; Al-Mutairi, Aamal A; Zaki, Magdi E A; Al-Hussain, Sami A; Samad, Abdul; Masand, Vijay H; Ghosh, Arabinda; Bakal, Ravindra L.

Molecules ; 27(15)2022 Aug 03.

Artículo en Inglés | MEDLINE | ID: mdl-35956900

2.

Inhibition of Filamentous Thermosensitive Mutant-Z Protein in Bacillus subtilis by Cyanobacterial Bioactive Compounds.

Gurnani, Manisha; Rath, Prangya; Chauhan, Abhishek; Ranjan, Anuj; Ghosh, Arabinda; Lal, Rup; Mukerjee, Nobendu; Aljarba, Nada H; Alkahtani, Saad; Rajput, Vishnu D; Sushkova, Svetlana; Prazdnova, Evgenya V; Minkina, Tatiana; Jindal, Tanu.

Molecules ; 27(6)2022 Mar 15.

Artículo en Inglés | MEDLINE | ID: mdl-35335270

3.

QSAR Evaluations to Unravel the Structural Features in Lysine-Specific Histone Demethylase 1A Inhibitors for Novel Anticancer Lead Development Supported by Molecular Docking, MD Simulation and MMGBSA.

Jawarkar, Rahul D; Bakal, Ravindra L; Mukherjee, Nobendu; Ghosh, Arabinda; Zaki, Magdi E A; Al-Hussain, Sami A; Al-Mutairi, Aamal A; Samad, Abdul; Gandhi, Ajaykumar; Masand, Vijay H.

Molecules ; 27(15)2022 Jul 25.

Artículo en Inglés | MEDLINE | ID: mdl-35897936

4.

Potential Therapeutic Target Protein Tyrosine Phosphatase-1B for Modulation of Insulin Resistance with Polyphenols and Its Quantitative Structure-Activity Relationship.

Rath, Prangya; Ranjan, Anuj; Ghosh, Arabinda; Chauhan, Abhishek; Gurnani, Manisha; Tuli, Hardeep Singh; Habeeballah, Hamza; Alkhanani, Mustfa F; Haque, Shafiul; Dhama, Kuldeep; Verma, Naval Kumar; Jindal, Tanu.

Molecules ; 27(7)2022 Mar 29.

Artículo en Inglés | MEDLINE | ID: mdl-35408611

5.

Identification of potent aldose reductase inhibitors as antidiabetic (Anti-hyperglycemic) agents using QSAR based virtual Screening, molecular Docking, MD simulation and MMGBSA approaches.

Bakal, Ravindra L; Jawarkar, Rahul D; Manwar, J V; Jaiswal, Minal S; Ghosh, Arabinda; Gandhi, Ajaykumar; Zaki, Magdi E A; Al-Hussain, Sami; Samad, Abdul; Masand, Vijay H; Mukerjee, Nobendu; Nasir Abbas Bukhari, Syed; Sharma, Praveen; Lewaa, Israa.

Saudi Pharm J ; 30(6): 693-710, 2022 Jun.

Artículo en Inglés | MEDLINE | ID: mdl-35812153

6.

Modelling the DFT structural and reactivity study of feverfew and evaluation of its potential antiviral activity against COVID-19 using molecular docking and MD simulations.

Lakhera, Shradha; Devlal, Kamal; Ghosh, Arabinda; Chowdhury, Papia; Rana, Meenakshi.

Chem Zvesti ; 76(5): 2759-2776, 2022.

Artículo en Inglés | MEDLINE | ID: mdl-35068663

7.

p38α MAP kinase inhibitors to overcome EGFR tertiary C797S point mutation associated with osimertinib in non-small cell lung cancer (NSCLC): emergence of fourth-generation EGFR inhibitor.

Ahmad, Iqrar; Shaikh, Matin; Surana, Sanjay; Ghosh, Arabinda; Patel, Harun.

J Biomol Struct Dyn ; 40(7): 3046-3059, 2022 Apr.

Artículo en Inglés | MEDLINE | ID: mdl-33174519

8.

In silico evaluation of binding of phytochemicals from bayati (Anamirta cocculus Linn) to the glutathione-s-transferase of Asian Corn Borer (Ostrinia furnacalis Guenée).

Castrosanto, Melvin A; Abrera, Annabelle T; Manalo, Marlon N; Ghosh, Arabinda.

J Biomol Struct Dyn ; : 1-7, 2022 Feb 09.

Artículo en Inglés | MEDLINE | ID: mdl-35138221

9.

Nonlinear molecular dynamics of quercetin in Gynocardia odorata and Diospyros malabarica fruits: Its mechanistic role in hepatoprotection.

Ghosh, Arabinda; Sarmah, Pranjal; Patel, Harun; Mukerjee, Nobendu; Mishra, Rajbardhan; Alkahtani, Saad; Varma, Rajender S; Baishya, Debabrat.

PLoS One ; 17(3): e0263917, 2022.

Artículo en Inglés | MEDLINE | ID: mdl-35313329

10.

Neoechinulins: Molecular, cellular, and functional attributes as promising therapeutics against cancer and other human diseases.

Mitra, Sicon; Anand, Uttpal; Sanyal, Rupa; Jha, Niraj Kumar; Behl, Tapan; Mundhra, Avinash; Ghosh, Arabinda; Kumar, Manoj; Procków, Jaroslaw; Dey, Abhijit.

Biomed Pharmacother ; 145: 112378, 2022 Jan.

Artículo en Inglés | MEDLINE | ID: mdl-34741824

11.

Therapeutic Potential of Different Natural Products for the Treatment of Alzheimer's Disease.

Chakraborty, Biswajit; Mukerjee, Nobendu; Maitra, Swastika; Zehravi, Mehrukh; Mukherjee, Dattatreya; Ghosh, Arabinda; Massoud, Ehab El Sayed; Rahman, Md Habibur.

Oxid Med Cell Longev ; 2022: 6873874, 2022.

Artículo en Inglés | MEDLINE | ID: mdl-35910833

12.

Dynamics of natural product Lupenone as a potential fusion inhibitor against the spike complex of novel Semliki Forest Virus.

Mukerjee, Nobendu; Das, Anubhab; Maitra, Swastika; Ghosh, Arabinda; Khan, Prattusha; Alexiou, Athanasios; Dey, Abhijit; Baishya, Debabrat; Ahmad, Faizan; Sachdeva, Punya; Al-Muhanna, Muhanna K.

PLoS One ; 17(2): e0263853, 2022.

Artículo en Inglés | MEDLINE | ID: mdl-35213606

13.

Genomic diversity and molecular dynamics interaction on mutational variances among RB domains of SARS-CoV-2 interplay drug inactivation.

Uddin, Md Bashir; Sajib, Emran Hossain; Hoque, Syeda Farjana; Bappy, Md Nazmul Islam; Elahi, Fazle; Ghosh, Arabinda; Muhit, Samuel; Hassan, Mohammad Mahmudul; Hasan, Mahmudul; Chelliah, Ramachandran; Park, Se Jin; Mony, Tamanna Jahan; Oh, Deog-Hwan; Ahmed, Syed Sayeem Uddin.

Infect Genet Evol ; 97: 105128, 2022 01.

Artículo en Inglés | MEDLINE | ID: mdl-34752930

14.

QSAR based virtual screening derived identification of a novel hit as a SARS CoV-229E 3CL^pro Inhibitor: GA-MLR QSAR modeling supported by molecular Docking, molecular dynamics simulation and MMGBSA calculation approaches.

Jawarkar, R D; Bakal, Ravindrakumar L; Zaki, Magdi E A; Al-Hussain, Sami; Ghosh, Arabinda; Gandhi, Ajaykumar; Mukerjee, Nobendu; Samad, Abdul; Masand, Vijay H; Lewaa, Israa.

Arab J Chem ; 15(1): 103499, 2022 Jan.

Artículo en Inglés | MEDLINE | ID: mdl-34909066

15.

COVID-19 diagnostic methods in developing countries.

Maniruzzaman, Md; Islam, Md Missile; Ali, Md Hazrat; Mukerjee, Nobendu; Maitra, Swastika; Kamal, Mohammad Amjad; Ghosh, Arabinda; Castrosanto, Melvin A; Alexiou, Athanasios; Ashraf, Ghulam Md; Tagde, Priti; Rahman, Md Habibur.

Environ Sci Pollut Res Int ; 29(34): 51384-51397, 2022 Jul.

Artículo en Inglés | MEDLINE | ID: mdl-35619009

16.

Potent Bioactive Compounds From Seaweed Waste to Combat Cancer Through Bioinformatics Investigation.

Bharadwaj, Kaushik Kumar; Ahmad, Iqrar; Pati, Siddhartha; Ghosh, Arabinda; Sarkar, Tanmay; Rabha, Bijuli; Patel, Harun; Baishya, Debabrat; Edinur, Hisham Atan; Abdul Kari, Zulhisyam; Ahmad Mohd Zain, Muhammad Rajaei; Wan Rosli, Wan Ishak.

Front Nutr ; 9: 889276, 2022.

Artículo en Inglés | MEDLINE | ID: mdl-35529456

17.

In vitro anti-HIV and cytotoxic effects of pure compounds isolated from Croton macrostachyus Hochst. Ex Delile.

Terefe, Ermias Mergia; Okalebo, Faith A; Derese, Solomon; Langat, Moses K; Mas-Claret, Eduard; Aljarba, Nada H; Alkahtani, Saad; Batiha, Gaber El-Saber; Ghosh, Arabinda; El-Masry, Eman A; Muriuki, Joseph.

BMC Complement Med Ther ; 22(1): 159, 2022 Jun 15.

Artículo en Inglés | MEDLINE | ID: mdl-35705943

18.

Cytokinins: A Genetic Target for Increasing Yield Potential in the CRISPR Era.

Mandal, Sayanti; Ghorai, Mimosa; Anand, Uttpal; Roy, Debleena; Kant, Nishi; Mishra, Tulika; Mane, Abhijit Bhagwan; Jha, Niraj Kumar; Lal, Milan Kumar; Tiwari, Rahul Kumar; Kumar, Manoj; Ghosh, Arabinda; Bhattacharjee, Rahul; Procków, Jaroslaw; Dey, Abhijit.

Front Genet ; 13: 883930, 2022.

Artículo en Inglés | MEDLINE | ID: mdl-35559022

19.

Discovery of Novel HSP27 Inhibitors as Prospective Anti-Cancer Agents Utilizing Computer-Assisted Therapeutic Discovery Approaches.

Umar, Haruna Isiyaku; Ajayi, Adeola Temitayo; Mukerjee, Nobendu; Aborode, Abdullahi Tunde; Hasan, Mohammad Mehedi; Maitra, Swastika; Bello, Ridwan O; Alabere, Hafsat O; Sanusi, Afees A; Awolaja, Olamide O; Alshehri, Mohammed M; Chukwuemeka, Prosper O; Aljarba, Nada H; Alkahtani, Saad; Malik, Sumira; Alexiou, Athanasios; Ghosh, Arabinda; Rahman, Md Habibur.

Cells ; 11(15)2022 Aug 04.

Artículo en Inglés | MEDLINE | ID: mdl-35954254

20.

Structure-activity relationship (SAR) and molecular dynamics study of withaferin-A fragment derivatives as potential therapeutic lead against main protease (M^pro) of SARS-CoV-2.

Ghosh, Arabinda; Chakraborty, Monoswi; Chandra, Anshuman; Alam, Mohamad Parvez.

J Mol Model ; 27(3): 97, 2021 Feb 28.

Artículo en Inglés | MEDLINE | ID: mdl-33641023

BVS CLAP/SMR-OPS/OMS

Centro Latinoamericano de Perinatología, Salud de la Mujer y Reproductiva

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