Article
Biochemistry & Molecular Biology
Sana Ghayas, M. Ali Masood, Rashida Parveen, Md Aquib, Muhammad Asim Farooq, Parikshit Banerjee, Susmit Sambhare, Rohit Bavi
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2020)
Correction
Biochemical Research Methods
Shailima Rampogu, Ayoung Baek, Rohit Bavi, Minky Son, Guang Ping Cao, Raj Kumar, Chanin Park, Amir Zeb, Rabia Mukthar Rana, Seok Ju Park, Keun Woo Lee
IEEE-ACM TRANSACTIONS ON COMPUTATIONAL BIOLOGY AND BIOINFORMATICS
(2020)
Article
Materials Science, Textiles
Aravind H. Patil, Shushilkumar A. Jadhav, Kuldip D. Gurav, Shailesh R. Waghmare, Gajanan D. Patil, Varsha D. Jadhav, Shirishkumar H. Vhanbatte, Pradyumna Kadole, Kailas D. Sonawane, Pramod S. Patil
JOURNAL OF THE TEXTILE INSTITUTE
(2020)
Article
Chemistry, Multidisciplinary
Prayagraj M. Fandilolu, Asmita S. Kamble, Ambika S. Dound, Kailas D. Sonawane
Review
Chemistry, Multidisciplinary
Ajkia Zaman Juthi, Md Aquib, Muhammad Asim Farooq, Sana Ghayas, Farah Khalid, George Frimpong Boafo, Dickson Pius Wande, Daulat Haleem Khan, Tasnim Zaman Bithi, Rohit Bavi, Bo Wang
ENVIRONMENTAL CHEMISTRY LETTERS
(2020)
Review
Chemistry, Multidisciplinary
Hang Zhang, Mengying Xie, Honghong Chen, Sneha Bavi, Muhammad Sohail, Rohit Bavi
Summary: Gas therapy has gained attention in nanomedicine as a safe and effective technique; the development of stimuli-responsive nanocarriers with controlled release offers healing without the risk of gas poisoning; gases like hydrogen and carbon dioxide are used in cancer therapy, with gas nanogenerators and releasing molecules enabling targeted release.
ENVIRONMENTAL CHEMISTRY LETTERS
(2021)
Article
Biochemistry & Molecular Biology
Sium Ahmed, Dil Afroj Moni, Kailas Dashrath Sonawane, Kee Yoeup Paek, Abdullah Mohammad Shohael
Summary: The study utilized various computational tools to predict the drug-likeness, bioactivities, and pharmacokinetic properties of eleutheroside B, as well as its inhibitory potential against COX-2 enzyme. The results indicated that eleutheroside B is a drug-like compound with satisfactory pharmacokinetic values, predicted to have no severe toxicities, and potential anti-inflammatory and anticancer properties.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2021)
Article
Biotechnology & Applied Microbiology
Sagar S. Barale, Savaliram G. Ghane, Kailas D. Sonawane
Summary: Bacillus velezensis SK, isolated from soil, exhibits broad-spectrum antimicrobial activity. Efficient extraction of antimicrobial compounds produced in different mediums was achieved using Diaion HP-20 resin. The antimicrobial compound, characterized by TLC, FTIR, and in-situ bioautography analysis, was found to be cyclic lipopeptides and was purified using silica gel, size exclusion, dual gradient, and RP-HPLC chromatography techniques. Growth kinetic studies showed that Bacillus velezensis SK produces a mixture of lipopeptides. LC-ESI-MS analysis of partially purified lipopeptide identified surfactin variants, and further analysis revealed the presence of C-15-surfactin homologues. The isolated surfactin exhibited good antimicrobial activity against drug-resistant bacteria.
Article
Biochemistry & Molecular Biology
Ambika S. Dound, Prayagraj M. Fandilolu, Kailas D. Sonawane
Summary: In this study, the structural significance of a newly discovered hypermodified nucleotide is investigated using quantum chemical and molecular dynamics simulation techniques. The study reveals that the ribose ring puckering and intramolecular interactions play important roles in the stability and structural dynamics of the nucleotide.
CELL BIOCHEMISTRY AND BIOPHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Rishikesh S. Parulekar, Kailas D. Sonawane
Summary: This study demonstrates the importance of structure elucidation for the APH enzyme from various bacteria and confirms the stability of the generated models. These models can be further studied to understand the molecular mechanisms of resistance and used for drug discovery.
STRUCTURAL CHEMISTRY
(2023)
Article
Multidisciplinary Sciences
Naveen Minhas, Yogesh K. Gurav, Susmit Sambhare, Varsha Potdar, Manohar Lal Choudhary, Sumit Dutt Bhardwaj, Priya Abraham
Summary: Real-time reverse transcription polymerase chain reaction (rRT-PCR) is the most accurate and widely used laboratory procedure for diagnosing COVID-19, and it is considered as the gold standard for diagnosis. In India, the government supported and encouraged rRT-PCR services during the COVID-19 surge. This study aimed to determine the per-unit cost of providing rRT-PCR services at a national reference laboratory in Pune during the early phase of the pandemic.
Article
Biology
Sneha B. Paymal, Sagar S. Barale, Shirishkumar V. Supanekar, Kailas D. Sonawane
Summary: In this study, inhibitors of EgDdls were screened and found to bind efficiently to the ATP binding pocket, forming stable interactions primarily through electrostatic and van der Waals interactions. These inhibitors slowed down the motion of the central domain and omega loop of EgDdls, inhibiting its function and potentially alleviating vancomycin resistance in enterococci.
COMPUTERS IN BIOLOGY AND MEDICINE
(2023)
Article
Biochemistry & Molecular Biology
V. G. Shanmuga Priya, Vishwambhar Bhandare, Uday M. Muddapur, Priya Swaminathan, Prayagraj M. Fandilolu, Kailas D. Sonawane
Summary: This study identified potential inhibitors of Rv2004c, a protein essential for the growth and survival of Mycobacterium tuberculosis. The compound ZINC34198774 was found to be a valid molecule and could potentially be used as an inhibitor for Rv2004c. The results of this study are important for the design of new therapeutics against tuberculosis.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Biochemistry & Molecular Biology
Sagar Barage, A. Karthic, Rohit Bavi, Neetin Desai, Raj Kumar, Vikas Kumar, Keun Woo Lee
Summary: COVID-19, declared as a global health emergency, is caused by SARS-CoV-2. Researchers used computer-aided drug repurposing strategies to discover inhibitors of RdRp and Nsp15. Molecular dynamics simulations showed that these inhibitors exhibited stable dynamic behavior at the active site of the enzymes.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2022)
Article
Chemistry, Multidisciplinary
Sagar S. Barale, Rishikesh S. Parulekar, Prayagraj M. Fandilolu, Maruti J. Dhanavade, Kailas D. Sonawane