Identification of Mycobacterium tuberculosis transcriptional repressor EthR inhibitors: Shape-based search and machine learning studies

Autor: Rupesh V. Chikhale, Gaber E. Eldesoky, Mahima Sudhir Kolpe, Vikramsinh Sardarsinh Suryawanshi, Pritee Chunarkar Patil, Shovonlal Bhowmick

Publikováno v: Heliyon, Vol 10, Iss 5, Pp e26802- (2024)

Tuberculosis has been a challenge to the world since prehistoric times, and with the advent of drug-resistant strains, it has become more challenging to treat this infection. Ethionamide (ETH), a second-line drug, acts as a prodrug and targets mycoli

Externí odkaz: https://doaj.org/article/42449c72e44847d7b77a0e1caa4a0b2a

List of contributors

Autor: Hanaa Abdelmoumen, Baskaran Abirami, Parameswari Alagarsamy, Soufiane Alami, Natarajan Amaresan, V. Ambikapathy, A. Anbukumaran, S. Arjun, Mary Shamya Arokiarajan, Karthick Raja Arulprakasam, Ashitha B. Arun, S. Babu, Karthiyayini Balakrishnan, Gowdhami Balakrishnan, K. Balakrishnan, Ananthakumar Bhanuprakash, S. Bharathi, Parli V. Bhaskar, Shanthagoud Biradar, Omar Bouhnik, M. Camil Rex, Komal A. Chandarana, Sapna Chandwani, Pritee Chunarkar-Patil, Dhanasekaran Dharumadurai, Mitesh Kumar Dwivedi, Kuppusamy Elumalai, Charlotte Fernandes, Shabari Girish, Kejal Gohil, Venugopal Gopikrishnan, Ahmed Abdul Haleem Khan, D. Jayanthi, K.R. Jeya, Jerrine Joseph, Rikkinen Jouko, Kaoutar Kaddouri, Nagajothi Kasilingam, Ashraf Khalifa, Mojibur R. Khan, I.A. Kozeretska, Parathasarathy Krupakar, Arun Kumar, Mouad Lamrabet, Arppe Laura, Mani Mahendrakumar, P. Maheshwari, O.M. Maistrenko, Saborni Maiti, Sarika S. Mane, Panangal Mani, Muthuselvam Manickam, Kaari Manigundan, Paul A. Martin, S.J. Meghana, Neelam Mishra, Shatakshi Mishra, Mustapha Missbah El Idrissi, MohamedYousuff Mohamed Imran, S.R. Mohith Sai, E.H. Molina-Henao, Sanjivkumar Muthusamy, Sanjushree Nagarajan, Pal Neha, D. Nieto-González, Stalin Nithaniyal, Mohammed Ourarhi, Priyadarshini Pandi, C.I. Pantoja-Concha, Darshit Patel, Udhayasuriyan Perachiselvi, S.R. Pugazhvendan, Sujith Pushparaj, Manikkam Radhakrishnan, Guhanraj Radhamanalan, Balasubramani Rajan, B. Rakesh, Meganathan P. Ramakodi, R. Ramya, Harita G. Rao, Lokesh Ravi, Nazar Reehana, Misbah Rehman, Sridhar Reshma, Vesala Risto, A.R. Rodríguez-Ortiz, Sharun Roy D'Souza, P. Murali Sankar, A. Sankaranarayanan, Priyanka Sarkar, Sabarish Sasikumar, Shilpa Susan Scaria, Leena Sebastian, S.V. Serga, A.S. Shijila Rani, S. Shravya, Chingtham Thanil Singh, Shipra Singh, Sayen Merlin Sophia Silvestar, B. Stany, Kumaran Subramanian, Nooruddin Thajuddin, Thirumagal Thirugnanam, Rajasekar Thirunavukkarasu, Sakshi Varshney, S. Veeramani, M. Veerapagu, Vishnu Raja Vijayakumar

Publikováno v: Microbial Symbionts ISBN: 9780323993340

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::505806dc0f8f0bcbef26f2defaf3da8f
https://doi.org/10.1016/b978-0-323-99334-0.01002-1

An analysis of non-cultivable bacteria using WEKA

Autor: Shweta Madiwale, Pritee Chunarkar Patil, Pradnya Suresh Panchal, Vidya Sunil Tale

Publikováno v: Bioinformation

The study of metagenomics from high throughput sequencing data processed through Waikato Environment for Knowledge Analysis (WEKA) is gaining momentum in recent years. Therefore, we report an analysis of metagenome data generated using T-RFLP followe

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0d62868166383774055966edf17d75d2
https://doi.org/10.6026/97320630016620

Identification of bio-active food compounds as potential SARS-CoV-2 PLpro inhibitors-modulators via negative image-based screening and computational simulations

Autor: Shovonlal Bhowmick, Nora Abdullah AlFaris, Jozaa Zaidan ALTamimi, Zeid A. ALOthman, Pritee Chunarkar Patil, Tahany Saleh Aldayel, Saikh Mohammad Wabaidur, Achintya Saha

Publikováno v: Computers in Biology and Medicine. 145:105474

Despite significant studies on the COVID-19 pandemic, scientists around the world are still battling to find a definitive therapy against the ongoing severe global health crisis. In this study, advanced computational approaches have been employed to

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::faa816745733f6d121cbc4cf60870a26
https://doi.org/10.1016/j.compbiomed.2022.105474

De novo design based identification of potential HIV-1 integrase inhibitors: A pharmacoinformatics study

Autor: Pritee Chunarkar Patil, Pooja Balasaheb Shinde, Shovonlal Bhowmick, Saikh Mohammad Wabaidur, Etidal Alfantoukh, Rupesh V. Chikhale, Ataul Islam

In the present study, pharmacoinformatics paradigms include receptor-based de novo design, virtual screening through molecular docking and molecular dynamics (MD) simulation are implemented to identify novel and promising HIV-1 integrase inhibitors.

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::364853a0bef5e870ff722b301ac5f48b
https://ueaeprints.uea.ac.uk/id/eprint/75764/